[1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol

C16H24N2OS — CID 79581483

IUPAC[1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCCC1CCSc1ccccn1
InChIInChI=1S/C16H24N2OS/c19-12-16(18-14-6-7-14)9-3-4-13(16)8-11-20-15-5-1-2-10-17-15/h1-2,5,10,13-14,18-19H,3-4,6-9,11-12H2
InChIKeyLMQHDSJQTVTTPI-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.85
Rot. Bonds7

About [1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol

[1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol (PubChem CID 79581483) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is [1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
PubChem CID79581483
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name[1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCCC1CCSc1ccccn1
InChIInChI=1S/C16H24N2OS/c19-12-16(18-14-6-7-14)9-3-4-13(16)8-11-20-15-5-1-2-10-17-15/h1-2,5,10,13-14,18-19H,3-4,6-9,11-12H2
InChIKeyLMQHDSJQTVTTPI-UHFFFAOYSA-N
XLogP2.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol (CID 79581483) is [1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol is OCC1(NC2CC2)CCCC1CCSc1ccccn1.
What is the InChIKey of [1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol?
The InChIKey is LMQHDSJQTVTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-12-16(18-14-6-7-14)9-3-4-13(16)8-11-20-15-5-1-2-10-17-15/h1-2,5,10,13-14,18-19H,3-4,6-9,11-12H2.
What are the key properties of [1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol?
[1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol has a molecular weight of 292.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol is sourced from PubChem (CID 79581483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).