2-(3-chlorophenyl)sulfanylpropan-2-amine

C9H12ClNS — CID 117032547

IUPAC2-(3-chlorophenyl)sulfanylpropan-2-amine
SMILESCC(C)(N)Sc1cccc(Cl)c1
InChIInChI=1S/C9H12ClNS/c1-9(2,11)12-8-5-3-4-7(10)6-8/h3-6H,11H2,1-2H3
InChIKeySLWPMWURRGQCHI-UHFFFAOYSA-N
MW201.72 g/mol
LogP3.13
Rot. Bonds2

About 2-(3-chlorophenyl)sulfanylpropan-2-amine

2-(3-chlorophenyl)sulfanylpropan-2-amine (PubChem CID 117032547) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanylpropan-2-amine
PubChem CID117032547
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name2-(3-chlorophenyl)sulfanylpropan-2-amine
SMILESCC(C)(N)Sc1cccc(Cl)c1
InChIInChI=1S/C9H12ClNS/c1-9(2,11)12-8-5-3-4-7(10)6-8/h3-6H,11H2,1-2H3
InChIKeySLWPMWURRGQCHI-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)sulfanyl-2-propylpentan-1-amine
CID 66146188
2-amino-3-(3-chlorophenyl)sulfanyl-2-methylpropanoic acid
CID 62647550
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
CID 63408144
[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite
CID 150613645
N-(3-chlorophenyl)sulfanylmethanamine;ethane
CID 143025296
[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine
CID 105237970
2-[(3-chlorophenyl)sulfanylamino]-2-methylpropanal
CID 144522854
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methylpropan-2-amine
CID 62647206
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886
ethyl 2-amino-4-(3-chlorophenyl)sulfanyl-2-methylbutanoate
CID 62647395
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfanylpropan-2-amine (CID 117032547) is 2-(3-chlorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanylpropan-2-amine is CC(C)(N)Sc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanylpropan-2-amine?
The InChIKey is SLWPMWURRGQCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-9(2,11)12-8-5-3-4-7(10)6-8/h3-6H,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)sulfanylpropan-2-amine?
2-(3-chlorophenyl)sulfanylpropan-2-amine has a molecular weight of 201.72 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 117032547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).