(1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine

C14H14ClNS — CID 63371446

IUPAC(1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine
SMILESC[C@H](N)c1ccc(Sc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNS/c1-10(16)11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14/h2-10H,16H2,1H3/t10-/m0/s1
InChIKeyAXDLJSFISURCRD-JTQLQIEISA-N
MW263.79 g/mol
LogP4.51
Rot. Bonds3

About (1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine

(1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine (PubChem CID 63371446) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is (1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine
PubChem CID63371446
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name(1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine
SMILESC[C@H](N)c1ccc(Sc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNS/c1-10(16)11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14/h2-10H,16H2,1H3/t10-/m0/s1
InChIKeyAXDLJSFISURCRD-JTQLQIEISA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol
CID 63835061
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886
(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 78938952
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 63537081
(1S)-1-[3-chloro-4-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 78944443
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]ethanamine
CID 115478517
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812
3-(3-chlorophenyl)sulfanyl-N-methylaniline
CID 117033156

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine (CID 63371446) is (1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine is C[C@H](N)c1ccc(Sc2cccc(Cl)c2)cc1.
What is the InChIKey of (1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine?
The InChIKey is AXDLJSFISURCRD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14ClNS/c1-10(16)11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14/h2-10H,16H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine?
(1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine has a molecular weight of 263.79 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 63371446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).