2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine

C16H19ClN2S — CID 64629043

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)Sc1ccc(Cl)cn1
InChIInChI=1S/C16H19ClN2S/c1-11-4-6-13(7-5-11)16(18-3)12(2)20-15-9-8-14(17)10-19-15/h4-10,12,16,18H,1-3H3
InChIKeyCOQFBSPCASXNBP-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.48
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine (PubChem CID 64629043) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
PubChem CID64629043
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)Sc1ccc(Cl)cn1
InChIInChI=1S/C16H19ClN2S/c1-11-4-6-13(7-5-11)16(18-3)12(2)20-15-9-8-14(17)10-19-15/h4-10,12,16,18H,1-3H3
InChIKeyCOQFBSPCASXNBP-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 64631469
2-(2,5-dichlorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64621434
5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754025
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 102926409
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64612638
2-(1H-imidazol-2-ylsulfanyl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 107783907
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64650586
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 64650448
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 106927981
N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
CID 64647840
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine (CID 64629043) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine is CNC(c1ccc(C)cc1)C(C)Sc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine?
The InChIKey is COQFBSPCASXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-11-4-6-13(7-5-11)16(18-3)12(2)20-15-9-8-14(17)10-19-15/h4-10,12,16,18H,1-3H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine has a molecular weight of 306.86 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 64629043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).