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[1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine

C15H22N2S — CID 117411258

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine
SMILESCC1Cc2cc(C3CC(CN)CN3C)ccc2S1
InChIInChI=1S/C15H22N2S/c1-10-5-13-7-12(3-4-15(13)18-10)14-6-11(8-16)9-17(14)2/h3-4,7,10-11,14H,5-6,8-9,16H2,1-2H3
InChIKeyJJWSAAPTVOWVCU-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.67
Rot. Bonds2

About [1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine

[1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine (PubChem CID 117411258) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is [1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine
PubChem CID117411258
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name[1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine
SMILESCC1Cc2cc(C3CC(CN)CN3C)ccc2S1
InChIInChI=1S/C15H22N2S/c1-10-5-13-7-12(3-4-15(13)18-10)14-6-11(8-16)9-17(14)2/h3-4,7,10-11,14H,5-6,8-9,16H2,1-2H3
InChIKeyJJWSAAPTVOWVCU-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine (CID 117411258) is [1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine is CC1Cc2cc(C3CC(CN)CN3C)ccc2S1.
What is the InChIKey of [1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is JJWSAAPTVOWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-10-5-13-7-12(3-4-15(13)18-10)14-6-11(8-16)9-17(14)2/h3-4,7,10-11,14H,5-6,8-9,16H2,1-2H3.
What are the key properties of [1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine?
[1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 262.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117411258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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