1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

C15H17Cl2NS — CID 3027274

IUPAC1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccc(Sc2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C15H16ClNS.ClH/c1-17(2)11-12-6-8-14(9-7-12)18-15-5-3-4-13(16)10-15;/h3-10H,11H2,1-2H3;1H
InChIKeyNCYAHHMFRGZBSD-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.97
Rot. Bonds4

About 1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 3027274) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID3027274
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccc(Sc2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C15H16ClNS.ClH/c1-17(2)11-12-6-8-14(9-7-12)18-15-5-3-4-13(16)10-15;/h3-10H,11H2,1-2H3;1H
InChIKeyNCYAHHMFRGZBSD-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (CID 3027274) is 1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is CN(C)Cc1ccc(Sc2cccc(Cl)c2)cc1.Cl.
What is the InChIKey of 1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is NCYAHHMFRGZBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS.ClH/c1-17(2)11-12-6-8-14(9-7-12)18-15-5-3-4-13(16)10-15;/h3-10H,11H2,1-2H3;1H.
What are the key properties of 1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 314.28 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 3027274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).