(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide

C20H28N4O2S — CID 124970731

IUPAC(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
SMILESCc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1
InChIInChI=1S/C20H28N4O2S/c1-15-7-9-18(10-8-15)22-19-12-16(2)21-20(13-19)17-6-5-11-24(14-17)27(25,26)23(3)4/h7-10,12-13,17H,5-6,11,14H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyJSBNKEUIJZJWPM-KRWDZBQOSA-N
MW388.54 g/mol
LogP3.43
Rot. Bonds5

About (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide

(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide (PubChem CID 124970731) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
PubChem CID124970731
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
SMILESCc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1
InChIInChI=1S/C20H28N4O2S/c1-15-7-9-18(10-8-15)22-19-12-16(2)21-20(13-19)17-6-5-11-24(14-17)27(25,26)23(3)4/h7-10,12-13,17H,5-6,11,14H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyJSBNKEUIJZJWPM-KRWDZBQOSA-N
XLogP3.43
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N,N-diethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 124976984
(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide
CID 124949686
(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95813591
N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
CID 124940380
N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
CID 110088790
(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
N,N-dimethyl-3-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 110257001
2-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl]-6-methyl-N-(4-methylphenyl)pyridin-4-amine
CID 124946726
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 155983028
N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
CID 110093124
(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124958014
3-(4-chloro-6-methylpyrimidin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 175662645

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide (CID 124970731) is (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide is Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)cc1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide?
The InChIKey is JSBNKEUIJZJWPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-15-7-9-18(10-8-15)22-19-12-16(2)21-20(13-19)17-6-5-11-24(14-17)27(25,26)23(3)4/h7-10,12-13,17H,5-6,11,14H2,1-4H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide?
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide has a molecular weight of 388.54 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide is sourced from PubChem (CID 124970731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).