(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine

C10H14ClNS — CID 104932240

IUPAC(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
SMILESCC[C@H](N)CSc1ccccc1Cl
InChIInChI=1S/C10H14ClNS/c1-2-8(12)7-13-10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3/t8-/m0/s1
InChIKeyXVBUGRIJICXMOB-QMMMGPOBSA-N
MW215.75 g/mol
LogP3.17
Rot. Bonds4

About (2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine

(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine (PubChem CID 104932240) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is (2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
PubChem CID104932240
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
SMILESCC[C@H](N)CSc1ccccc1Cl
InChIInChI=1S/C10H14ClNS/c1-2-8(12)7-13-10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3/t8-/m0/s1
InChIKeyXVBUGRIJICXMOB-QMMMGPOBSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66139564
1-(2-chlorophenyl)sulfanylhex-4-yn-2-amine
CID 66142011
1-(2-chlorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79178847
1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
CID 103035782
1-phenylsulfanylbutan-2-amine
CID 24973194
1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol
CID 66152395
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-amine
CID 107884862
1-[4-(2-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 63818591
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
[1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine
CID 105237636
1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 66139563
2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66142205

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine?
The IUPAC name of (2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine (CID 104932240) is (2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine.
What is the SMILES notation for (2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine?
The canonical SMILES for (2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine is CC[C@H](N)CSc1ccccc1Cl.
What is the InChIKey of (2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine?
The InChIKey is XVBUGRIJICXMOB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-2-8(12)7-13-10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine?
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine has a molecular weight of 215.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine is sourced from PubChem (CID 104932240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).