3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol

C18H27NOS — CID 64808007

IUPAC3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
SMILESOCC(CSCC1CCCC1)(NC1CC1)c1ccccc1
InChIInChI=1S/C18H27NOS/c20-13-18(19-17-10-11-17,16-8-2-1-3-9-16)14-21-12-15-6-4-5-7-15/h1-3,8-9,15,17,19-20H,4-7,10-14H2
InChIKeyVFQQCVZYOBQIRM-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.55
Rot. Bonds8

About 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol

3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol (PubChem CID 64808007) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
PubChem CID64808007
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
SMILESOCC(CSCC1CCCC1)(NC1CC1)c1ccccc1
InChIInChI=1S/C18H27NOS/c20-13-18(19-17-10-11-17,16-8-2-1-3-9-16)14-21-12-15-6-4-5-7-15/h1-3,8-9,15,17,19-20H,4-7,10-14H2
InChIKeyVFQQCVZYOBQIRM-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64820406
2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol
CID 64806755
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64809912
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(cyclopropylamino)-2-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol
CID 116695627
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64827543
2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
CID 116695566
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-phenylbutan-1-ol
CID 116695124
2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutan-1-ol
CID 116695088
2-(cyclopropylamino)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 64797775
2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
CID 116695403

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol (CID 64808007) is 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol is OCC(CSCC1CCCC1)(NC1CC1)c1ccccc1.
What is the InChIKey of 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol?
The InChIKey is VFQQCVZYOBQIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c20-13-18(19-17-10-11-17,16-8-2-1-3-9-16)14-21-12-15-6-4-5-7-15/h1-3,8-9,15,17,19-20H,4-7,10-14H2.
What are the key properties of 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol?
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol has a molecular weight of 305.49 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64808007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).