1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol

C10H14ClNOS — CID 64814242

IUPAC1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol
SMILESCC(O)(CN)CSc1ccccc1Cl
InChIInChI=1S/C10H14ClNOS/c1-10(13,6-12)7-14-9-5-3-2-4-8(9)11/h2-5,13H,6-7,12H2,1H3
InChIKeyOIHUYLRMQYOXTQ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.14
Rot. Bonds4

About 1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol

1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol (PubChem CID 64814242) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol
PubChem CID64814242
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol
SMILESCC(O)(CN)CSc1ccccc1Cl
InChIInChI=1S/C10H14ClNOS/c1-10(13,6-12)7-14-9-5-3-2-4-8(9)11/h2-5,13H,6-7,12H2,1H3
InChIKeyOIHUYLRMQYOXTQ-UHFFFAOYSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol
CID 22763000
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119607296
1-amino-3-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol
CID 64814668
2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropan-1-ol
CID 64807826
1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol
CID 114496192
3-(2-chlorophenyl)sulfanyl-2-[(2-chlorophenyl)sulfanylmethyl]-2-methyl-N-(2-phenylpropan-2-yl)propanamide
CID 134120088
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170018
4-(2-chlorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062349
2-amino-3-(2-chlorophenyl)sulfanyl-2-cyclopropylpropanamide
CID 63917294
2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol
CID 64805546
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66139564
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-ol
CID 114212099

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol (CID 64814242) is 1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol is CC(O)(CN)CSc1ccccc1Cl.
What is the InChIKey of 1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
The InChIKey is OIHUYLRMQYOXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-10(13,6-12)7-14-9-5-3-2-4-8(9)11/h2-5,13H,6-7,12H2,1H3.
What are the key properties of 1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol?
1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol has a molecular weight of 231.75 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-chlorophenyl)sulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 64814242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).