(R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine

C16H16ClNS — CID 171215096

IUPAC(R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine
SMILESN[C@@H](c1ccccc1Sc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H16ClNS/c17-12-7-9-13(10-8-12)19-15-4-2-1-3-14(15)16(18)11-5-6-11/h1-4,7-11,16H,5-6,18H2/t16-/m1/s1
InChIKeyBJALWCKCAOYHND-MRXNPFEDSA-N
MW289.83 g/mol
LogP4.90
Rot. Bonds4

About (R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine

(R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine (PubChem CID 171215096) has the molecular formula C16H16ClNS and a molecular weight of 289.83 g/mol. Its IUPAC name is (R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine.

Molecular Properties

Compound Name(R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine
PubChem CID171215096
Molecular FormulaC16H16ClNS
Molecular Weight289.83 g/mol
Exact Mass289.07
IUPAC Name(R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine
SMILESN[C@@H](c1ccccc1Sc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H16ClNS/c17-12-7-9-13(10-8-12)19-15-4-2-1-3-14(15)16(18)11-5-6-11/h1-4,7-11,16H,5-6,18H2/t16-/m1/s1
InChIKeyBJALWCKCAOYHND-MRXNPFEDSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclobutylmethanamine
CID 171234728
(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride
CID 171234701
(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]ethane-1,2-diamine;hydrochloride
CID 171215065
(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylbutan-2-ol
CID 171271330
(3S)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]propanenitrile
CID 171260206
(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171265661
(1R,2S)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]pentan-2-ol
CID 171265664
(3S)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171244664
(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylpentan-2-ol;hydrochloride
CID 171271337
1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine
CID 115995754
2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846

Frequently Asked Questions

What is the IUPAC name of (R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine?
The IUPAC name of (R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine (CID 171215096) is (R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine.
What is the SMILES notation for (R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine?
The canonical SMILES for (R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine is N[C@@H](c1ccccc1Sc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of (R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine?
The InChIKey is BJALWCKCAOYHND-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16ClNS/c17-12-7-9-13(10-8-12)19-15-4-2-1-3-14(15)16(18)11-5-6-11/h1-4,7-11,16H,5-6,18H2/t16-/m1/s1.
What are the key properties of (R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine?
(R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine has a molecular weight of 289.83 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine is sourced from PubChem (CID 171215096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).