4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol

C14H20ClNOS — CID 64806302

IUPAC4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
SMILESCC(CO)(CCSc1cccc(Cl)c1)NC1CC1
InChIInChI=1S/C14H20ClNOS/c1-14(10-17,16-12-5-6-12)7-8-18-13-4-2-3-11(15)9-13/h2-4,9,12,16-17H,5-8,10H2,1H3
InChIKeyCNBYQSYSMUOAQI-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.33
Rot. Bonds7

About 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol

4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol (PubChem CID 64806302) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
PubChem CID64806302
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
SMILESCC(CO)(CCSc1cccc(Cl)c1)NC1CC1
InChIInChI=1S/C14H20ClNOS/c1-14(10-17,16-12-5-6-12)7-8-18-13-4-2-3-11(15)9-13/h2-4,9,12,16-17H,5-8,10H2,1H3
InChIKeyCNBYQSYSMUOAQI-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
CID 64807612
2-(cyclopropylamino)-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64808531
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutanenitrile
CID 62647390
3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
CID 62647394
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol
CID 64807962
2-(cyclopropylamino)-6-(3,4-dimethylphenyl)sulfanyl-2-methylhexan-1-ol
CID 64805569
N-[2-(3-chlorophenyl)sulfanylethyl]-1-cyclopropylethanamine
CID 62646836
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide
CID 63035769
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818836
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methylpropan-2-amine
CID 62647206
5-(3-bromophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpentanamide
CID 62804810
2-(cyclopropylamino)-2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 64819014

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol (CID 64806302) is 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol is CC(CO)(CCSc1cccc(Cl)c1)NC1CC1.
What is the InChIKey of 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol?
The InChIKey is CNBYQSYSMUOAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-14(10-17,16-12-5-6-12)7-8-18-13-4-2-3-11(15)9-13/h2-4,9,12,16-17H,5-8,10H2,1H3.
What are the key properties of 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol?
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol has a molecular weight of 285.84 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64806302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).