(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride

C15H18Cl2N2S — CID 171234701

IUPAC(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@H](N)c1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2S.ClH/c16-11-5-7-12(8-6-11)19-15-4-2-1-3-13(15)14(18)9-10-17;/h1-8,14H,9-10,17-18H2;1H/t14-;/m0./s1
InChIKeyRLNHHINVLGQMPV-UQKRIMTDSA-N
MW329.30 g/mol
LogP4.26
Rot. Bonds5

About (1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride

(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride (PubChem CID 171234701) has the molecular formula C15H18Cl2N2S and a molecular weight of 329.30 g/mol. Its IUPAC name is (1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride
PubChem CID171234701
Molecular FormulaC15H18Cl2N2S
Molecular Weight329.30 g/mol
Exact Mass328.06
IUPAC Name(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@H](N)c1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2S.ClH/c16-11-5-7-12(8-6-11)19-15-4-2-1-3-13(15)14(18)9-10-17;/h1-8,14H,9-10,17-18H2;1H/t14-;/m0./s1
InChIKeyRLNHHINVLGQMPV-UQKRIMTDSA-N
XLogP4.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]ethane-1,2-diamine;hydrochloride
CID 171215065
(3S)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]propanenitrile
CID 171260206
(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
(R)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclopropylmethanamine
CID 171215096
(2R,3R)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171265661
(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylbutan-2-ol
CID 171271330
1-(2-phenylsulfanylphenyl)pentan-1-amine
CID 58625272
(S)-[2-(4-chlorophenyl)sulfanylphenyl]-cyclobutylmethanamine
CID 171234728
1-[2-(4-chlorophenyl)sulfanylphenyl]-N-ethylpropan-1-amine
CID 115995754
1-[(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-fluoropropyl]piperazine;hydrochloride
CID 171167494

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride?
The IUPAC name of (1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride (CID 171234701) is (1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride is Cl.NCC[C@H](N)c1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride?
The InChIKey is RLNHHINVLGQMPV-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H17ClN2S.ClH/c16-11-5-7-12(8-6-11)19-15-4-2-1-3-13(15)14(18)9-10-17;/h1-8,14H,9-10,17-18H2;1H/t14-;/m0./s1.
What are the key properties of (1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride?
(1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride has a molecular weight of 329.30 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-chlorophenyl)sulfanylphenyl]propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171234701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).