(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine

C14H17NS — CID 93025479

IUPAC(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
SMILESN[C@H](c1csc2ccccc12)C1CCCC1
InChIInChI=1S/C14H17NS/c15-14(10-5-1-2-6-10)12-9-16-13-8-4-3-7-11(12)13/h3-4,7-10,14H,1-2,5-6,15H2/t14-/m0/s1
InChIKeyIDZLEOQXZHCCSA-AWEZNQCLSA-N
MW231.36 g/mol
LogP4.09
Rot. Bonds2

About (S)-1-benzothiophen-3-yl(cyclopentyl)methanamine

(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine (PubChem CID 93025479) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is (S)-1-benzothiophen-3-yl(cyclopentyl)methanamine.

Molecular Properties

Compound Name(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
PubChem CID93025479
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
SMILESN[C@H](c1csc2ccccc12)C1CCCC1
InChIInChI=1S/C14H17NS/c15-14(10-5-1-2-6-10)12-9-16-13-8-4-3-7-11(12)13/h3-4,7-10,14H,1-2,5-6,15H2/t14-/m0/s1
InChIKeyIDZLEOQXZHCCSA-AWEZNQCLSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
CID 171224599
(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
CID 171224597
1-benzothiophen-3-yl(oxolan-3-yl)methanamine
CID 61273197
1-benzothiophen-3-yl-(3,4-dimethylcyclohexyl)methanamine
CID 104989207
3-[bromo(cyclooctyl)methyl]-1-benzothiophene
CID 65020600
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine
CID 115862520
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668
1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
3-[chloro(cyclohexyl)methyl]-1-benzothiophene;thionyl dichloride
CID 159655560
3-(1-chloro-2-cyclohexylethyl)-1-benzothiophene
CID 55200427
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843

Frequently Asked Questions

What is the IUPAC name of (S)-1-benzothiophen-3-yl(cyclopentyl)methanamine?
The IUPAC name of (S)-1-benzothiophen-3-yl(cyclopentyl)methanamine (CID 93025479) is (S)-1-benzothiophen-3-yl(cyclopentyl)methanamine.
What is the SMILES notation for (S)-1-benzothiophen-3-yl(cyclopentyl)methanamine?
The canonical SMILES for (S)-1-benzothiophen-3-yl(cyclopentyl)methanamine is N[C@H](c1csc2ccccc12)C1CCCC1.
What is the InChIKey of (S)-1-benzothiophen-3-yl(cyclopentyl)methanamine?
The InChIKey is IDZLEOQXZHCCSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17NS/c15-14(10-5-1-2-6-10)12-9-16-13-8-4-3-7-11(12)13/h3-4,7-10,14H,1-2,5-6,15H2/t14-/m0/s1.
What are the key properties of (S)-1-benzothiophen-3-yl(cyclopentyl)methanamine?
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine has a molecular weight of 231.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1-benzothiophen-3-yl(cyclopentyl)methanamine is sourced from PubChem (CID 93025479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).