(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride

C10H15Cl2NOS — CID 70048695

IUPAC(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride
SMILESCl.N[C@H](CO)CCSc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNOS.ClH/c11-8-1-3-10(4-2-8)14-6-5-9(12)7-13;/h1-4,9,13H,5-7,12H2;1H/t9-;/m0./s1
InChIKeyKSUAPLQVHXUODL-FVGYRXGTSA-N
MW268.21 g/mol
LogP2.56
Rot. Bonds5

About (2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride

(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride (PubChem CID 70048695) has the molecular formula C10H15Cl2NOS and a molecular weight of 268.21 g/mol. Its IUPAC name is (2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride
PubChem CID70048695
Molecular FormulaC10H15Cl2NOS
Molecular Weight268.21 g/mol
Exact Mass267.03
IUPAC Name(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride
SMILESCl.N[C@H](CO)CCSc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNOS.ClH/c11-8-1-3-10(4-2-8)14-6-5-9(12)7-13;/h1-4,9,13H,5-7,12H2;1H/t9-;/m0./s1
InChIKeyKSUAPLQVHXUODL-FVGYRXGTSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
3-(4-chlorophenyl)sulfanylpropan-1-amine;hydrochloride
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CID 64819222
1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
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(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol
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4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride
CID 120559309
1-(4-chlorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79177310
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
(2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol
CID 67502477
1-(3-chlorophenyl)-4-phenylsulfanylbutan-2-amine
CID 79223389
4-(4-chlorophenyl)sulfanyl-2-(ethylamino)butanamide
CID 63035351

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride (CID 70048695) is (2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride is Cl.N[C@H](CO)CCSc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride?
The InChIKey is KSUAPLQVHXUODL-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H14ClNOS.ClH/c11-8-1-3-10(4-2-8)14-6-5-9(12)7-13;/h1-4,9,13H,5-7,12H2;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride?
(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride has a molecular weight of 268.21 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride is sourced from PubChem (CID 70048695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).