3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine

C15H19NS3 — CID 103701381

IUPAC3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCSC1CCC(NCc2cc(-c3cccs3)cs2)C1
InChIInChI=1S/C15H19NS3/c1-17-13-5-4-12(8-13)16-9-14-7-11(10-19-14)15-3-2-6-18-15/h2-3,6-7,10,12-13,16H,4-5,8-9H2,1H3
InChIKeyZXTVDEQKITZMTQ-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.85
Rot. Bonds5

About 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine

3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine (PubChem CID 103701381) has the molecular formula C15H19NS3 and a molecular weight of 309.52 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
PubChem CID103701381
Molecular FormulaC15H19NS3
Molecular Weight309.52 g/mol
Exact Mass309.07
IUPAC Name3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCSC1CCC(NCc2cc(-c3cccs3)cs2)C1
InChIInChI=1S/C15H19NS3/c1-17-13-5-4-12(8-13)16-9-14-7-11(10-19-14)15-3-2-6-18-15/h2-3,6-7,10,12-13,16H,4-5,8-9H2,1H3
InChIKeyZXTVDEQKITZMTQ-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine with MolForge

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Related Compounds

4-propyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 63454108
1,1-dioxo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]thian-4-amine
CID 43778670
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 63278379
2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]oxolan-3-amine
CID 82726555
2,6-dimethyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]piperidin-1-amine
CID 83009935
cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone
CID 56808711
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81390018
3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732660
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 115656335
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900
(6S)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95292850

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine (CID 103701381) is 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine is CSC1CCC(NCc2cc(-c3cccs3)cs2)C1.
What is the InChIKey of 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is ZXTVDEQKITZMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS3/c1-17-13-5-4-12(8-13)16-9-14-7-11(10-19-14)15-3-2-6-18-15/h2-3,6-7,10,12-13,16H,4-5,8-9H2,1H3.
What are the key properties of 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine?
3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 103701381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).