N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine

C17H21ClN2S — CID 80639728

IUPACN-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1Sc1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2S/c1-12-8-13(11-20-17(2,3)4)10-19-16(12)21-15-7-5-6-14(18)9-15/h5-10,20H,11H2,1-4H3
InChIKeyFZPVFXATKDLJDU-UHFFFAOYSA-N
MW320.89 g/mol
LogP5.08
Rot. Bonds4

About N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 80639728) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID80639728
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC NameN-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)cnc1Sc1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2S/c1-12-8-13(11-20-17(2,3)4)10-19-16(12)21-15-7-5-6-14(18)9-15/h5-10,20H,11H2,1-4H3
InChIKeyFZPVFXATKDLJDU-UHFFFAOYSA-N
XLogP5.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.89
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80639313
2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 106926551
1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80650592
1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80628313
N-[[6-(4-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80628289
N-[[6-(3,4-dichlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80640372
5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 104507662
4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80892674
N-[2-(3-chlorophenyl)sulfanylethyl]-2-methylpropan-2-amine
CID 62647206
2-[6-(3-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
CID 80651307
N-[[6-(4-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80640521
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 80639728) is N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1cc(CNC(C)(C)C)cnc1Sc1cccc(Cl)c1.
What is the InChIKey of N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FZPVFXATKDLJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-12-8-13(11-20-17(2,3)4)10-19-16(12)21-15-7-5-6-14(18)9-15/h5-10,20H,11H2,1-4H3.
What are the key properties of N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 320.89 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80639728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).