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

C18H27NOS — CID 103161079

IUPAC1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
SMILESOC(CSc1cccc(CNC2CC2)c1)CC1CCCC1
InChIInChI=1S/C18H27NOS/c20-17(10-14-4-1-2-5-14)13-21-18-7-3-6-15(11-18)12-19-16-8-9-16/h3,6-7,11,14,16-17,19-20H,1-2,4-5,8-10,12-13H2
InChIKeyYUSOQRBETBJAKL-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.97
Rot. Bonds8

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

1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol (PubChem CID 103161079) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
PubChem CID103161079
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
SMILESOC(CSc1cccc(CNC2CC2)c1)CC1CCCC1
InChIInChI=1S/C18H27NOS/c20-17(10-14-4-1-2-5-14)13-21-18-7-3-6-15(11-18)12-19-16-8-9-16/h3,6-7,11,14,16-17,19-20H,1-2,4-5,8-10,12-13H2
InChIKeyYUSOQRBETBJAKL-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

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Related Compounds

1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161084
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-1-phenylethanol
CID 66347327
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 103156399
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158873
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanylacetonitrile
CID 66348489
5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol
CID 66347513
1-cyclopropyl-3-phenylsulfanylpropan-2-ol
CID 65142399
N-[[3-(4-methylpentylsulfanyl)phenyl]methyl]cyclopropanamine
CID 83169209
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347709
N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66347132

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol (CID 103161079) is 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol is OC(CSc1cccc(CNC2CC2)c1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol?
The InChIKey is YUSOQRBETBJAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c20-17(10-14-4-1-2-5-14)13-21-18-7-3-6-15(11-18)12-19-16-8-9-16/h3,6-7,11,14,16-17,19-20H,1-2,4-5,8-10,12-13H2.
What are the key properties of 1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol?
1-cyclopentyl-3-[3-[(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-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol is sourced from PubChem (CID 103161079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).