2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol

C12H23NOS — CID 64806558

IUPAC2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol
SMILESNC(CO)(CSCC1CCCC1)C1CC1
InChIInChI=1S/C12H23NOS/c13-12(8-14,11-5-6-11)9-15-7-10-3-1-2-4-10/h10-11,14H,1-9,13H2
InChIKeySVUOFWJMKQMODM-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.01
Rot. Bonds6

About 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol

2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol (PubChem CID 64806558) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol
PubChem CID64806558
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol
SMILESNC(CO)(CSCC1CCCC1)C1CC1
InChIInChI=1S/C12H23NOS/c13-12(8-14,11-5-6-11)9-15-7-10-3-1-2-4-10/h10-11,14H,1-9,13H2
InChIKeySVUOFWJMKQMODM-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64805519
ethyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
CID 63919480
methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate
CID 63921449
2-amino-2-cyclopropylbutan-1-ol
CID 64919158
(3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane
CID 65000271
2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 115384262
1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone
CID 104752304
2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol
CID 64796314
2-amino-3-(4-tert-butylphenyl)sulfanyl-2-cyclopropylpropan-1-ol
CID 64805810
2-amino-2-cyclopropyl-3-(5-methylpyrimidin-2-yl)sulfanylpropan-1-ol
CID 64819233
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64808007
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63907050

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol?
The IUPAC name of 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol (CID 64806558) is 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol?
The canonical SMILES for 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol is NC(CO)(CSCC1CCCC1)C1CC1.
What is the InChIKey of 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol?
The InChIKey is SVUOFWJMKQMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c13-12(8-14,11-5-6-11)9-15-7-10-3-1-2-4-10/h10-11,14H,1-9,13H2.
What are the key properties of 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol?
2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 64806558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).