3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol

C16H24ClNOS — CID 103291371

IUPAC3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CSCc1ccccc1Cl)C1CC1
InChIInChI=1S/C16H24ClNOS/c1-12(2)18-16(10-19,14-7-8-14)11-20-9-13-5-3-4-6-15(13)17/h3-6,12,14,18-19H,7-11H2,1-2H3
InChIKeyICNUPZYNSCEILQ-UHFFFAOYSA-N
MW313.89 g/mol
LogP3.71
Rot. Bonds8

About 3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol

3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 103291371) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID103291371
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(CSCc1ccccc1Cl)C1CC1
InChIInChI=1S/C16H24ClNOS/c1-12(2)18-16(10-19,14-7-8-14)11-20-9-13-5-3-4-6-15(13)17/h3-6,12,14,18-19H,7-11H2,1-2H3
InChIKeyICNUPZYNSCEILQ-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 64819239
2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 64807979
2-cyclopropyl-3-[(2-methylphenyl)methylsulfanyl]-2-(propan-2-ylamino)propanoic acid
CID 63919667
4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 103291384
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
methyl 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 103289639
3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanoic acid
CID 103289692
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806530
3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
CID 103291354
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
2-[(2-chlorophenyl)methylsulfanylmethyl]-2-ethylbutane-1-thiol
CID 103291417
3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide
CID 103289753

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol (CID 103291371) is 3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)(CSCc1ccccc1Cl)C1CC1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is ICNUPZYNSCEILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-12(2)18-16(10-19,14-7-8-14)11-20-9-13-5-3-4-6-15(13)17/h3-6,12,14,18-19H,7-11H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol?
3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 313.89 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 103291371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).