N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine

C30H45N3S3 — CID 162186956

IUPACN-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine
SMILESCNCC1CCc2scc(C)c21.CNC[C@@H]1CCc2scc(C)c21.CNC[C@H]1CCc2scc(C)c21
InChIInChI=1S/3C10H15NS/c3*1-7-6-12-9-4-3-8(5-11-2)10(7)9/h3*6,8,11H,3-5H2,1-2H3/t2*8-;/m10./s1
InChIKeyZPTXGAIZSRSEFD-DCBBVGBMSA-N
MW543.91 g/mol
LogP6.92
Rot. Bonds6

About N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine

N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine (PubChem CID 162186956) has the molecular formula C30H45N3S3 and a molecular weight of 543.91 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine
PubChem CID162186956
Molecular FormulaC30H45N3S3
Molecular Weight543.91 g/mol
Exact Mass543.28
IUPAC NameN-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine
SMILESCNCC1CCc2scc(C)c21.CNC[C@@H]1CCc2scc(C)c21.CNC[C@H]1CCc2scc(C)c21
InChIInChI=1S/3C10H15NS/c3*1-7-6-12-9-4-3-8(5-11-2)10(7)9/h3*6,8,11H,3-5H2,1-2H3/t2*8-;/m10./s1
InChIKeyZPTXGAIZSRSEFD-DCBBVGBMSA-N
XLogP6.92
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.91
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine?
The IUPAC name of N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine (CID 162186956) is N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine is CNCC1CCc2scc(C)c21.CNC[C@@H]1CCc2scc(C)c21.CNC[C@H]1CCc2scc(C)c21.
What is the InChIKey of N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine?
The InChIKey is ZPTXGAIZSRSEFD-DCBBVGBMSA-N. The full InChI is InChI=1S/3C10H15NS/c3*1-7-6-12-9-4-3-8(5-11-2)10(7)9/h3*6,8,11H,3-5H2,1-2H3/t2*8-;/m10./s1.
What are the key properties of N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine?
N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine has a molecular weight of 543.91 g/mol, XLogP of 6.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)methanamine;N-methyl-1-[(4R)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine;N-methyl-1-[(4S)-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl]methanamine is sourced from PubChem (CID 162186956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).