1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol

C18H27NOS — CID 103161084

IUPAC1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
SMILESOC(CSc1ccc(CNC2CC2)cc1)CC1CCCC1
InChIInChI=1S/C18H27NOS/c20-17(11-14-3-1-2-4-14)13-21-18-9-5-15(6-10-18)12-19-16-7-8-16/h5-6,9-10,14,16-17,19-20H,1-4,7-8,11-13H2
InChIKeyAWOWPPVTVFWUOR-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.97
Rot. Bonds8

About 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol

1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol (PubChem CID 103161084) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
PubChem CID103161084
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
SMILESOC(CSc1ccc(CNC2CC2)cc1)CC1CCCC1
InChIInChI=1S/C18H27NOS/c20-17(11-14-3-1-2-4-14)13-21-18-9-5-15(6-10-18)12-19-16-7-8-16/h5-6,9-10,14,16-17,19-20H,1-4,7-8,11-13H2
InChIKeyAWOWPPVTVFWUOR-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161079
N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807786
1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
CID 66142592
1-cyclopropyl-3-phenylsulfanylpropan-2-ol
CID 65142399
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 103156399
1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol
CID 43345398
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158873
2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol
CID 103160778
1-(4-bromophenyl)sulfanyl-3-(oxan-4-yl)propan-2-ol
CID 66054289
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425
3-[[4-[(cyclopropylamino)methyl]phenyl]sulfanylmethyl]pentan-3-ol
CID 114497079

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol (CID 103161084) is 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol is OC(CSc1ccc(CNC2CC2)cc1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol?
The InChIKey is AWOWPPVTVFWUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c20-17(11-14-3-1-2-4-14)13-21-18-9-5-15(6-10-18)12-19-16-7-8-16/h5-6,9-10,14,16-17,19-20H,1-4,7-8,11-13H2.
What are the key properties of 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol?
1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol has a molecular weight of 305.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol is sourced from PubChem (CID 103161084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).