3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine

C17H23NS — CID 112569750

IUPAC3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
SMILESCNCC(Cc1csc2ccccc12)C1CCCC1
InChIInChI=1S/C17H23NS/c1-18-11-14(13-6-2-3-7-13)10-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,12-14,18H,2-3,6-7,10-11H2,1H3
InChIKeyKQGUXVVSMKGRLE-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.47
Rot. Bonds5

About 3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine

3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine (PubChem CID 112569750) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
PubChem CID112569750
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
SMILESCNCC(Cc1csc2ccccc12)C1CCCC1
InChIInChI=1S/C17H23NS/c1-18-11-14(13-6-2-3-7-13)10-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,12-14,18H,2-3,6-7,10-11H2,1H3
InChIKeyKQGUXVVSMKGRLE-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036
2-(1-benzothiophen-3-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105116915
2-cyclohexyl-N-methyl-3-phenylpropan-1-amine
CID 82931379
2-(1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 115823929
N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
CID 55198456
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 55231284
1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65138997
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723414
2-cyclopentyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 112569789
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
CID 146079150

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine (CID 112569750) is 3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine is CNCC(Cc1csc2ccccc12)C1CCCC1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine?
The InChIKey is KQGUXVVSMKGRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-18-11-14(13-6-2-3-7-13)10-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,12-14,18H,2-3,6-7,10-11H2,1H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine?
3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine is sourced from PubChem (CID 112569750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).