(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide

C17H25N5O2S2 — CID 124949686

IUPAC(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide
SMILESCc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1
InChIInChI=1S/C17H25N5O2S2/c1-12-8-15(20-17-18-10-13(2)25-17)9-16(19-12)14-6-5-7-22(11-14)26(23,24)21(3)4/h8-10,14H,5-7,11H2,1-4H3,(H,18,19,20)/t14-/m1/s1
InChIKeyCVWBXDHSOZWIQC-CQSZACIVSA-N
MW395.55 g/mol
LogP2.88
Rot. Bonds5

About (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide

(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide (PubChem CID 124949686) has the molecular formula C17H25N5O2S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide
PubChem CID124949686
Molecular FormulaC17H25N5O2S2
Molecular Weight395.55 g/mol
Exact Mass395.14
IUPAC Name(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide
SMILESCc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1
InChIInChI=1S/C17H25N5O2S2/c1-12-8-15(20-17-18-10-13(2)25-17)9-16(19-12)14-6-5-7-22(11-14)26(23,24)21(3)4/h8-10,14H,5-7,11H2,1-4H3,(H,18,19,20)/t14-/m1/s1
InChIKeyCVWBXDHSOZWIQC-CQSZACIVSA-N
XLogP2.88
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
(3R)-N,N-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 125012811
(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95813591
N,N-dimethyl-3-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 110257001
N,N-dimethyl-4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidine-1-sulfonamide
CID 110093124
5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124977783
(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 125008220
N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
CID 124940380
5-methyl-N-[2-methyl-6-(1-pyrimidin-2-ylpyrrolidin-2-yl)-4-pyridinyl]-1,3-thiazol-2-amine
CID 110262807
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093576
2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 95834814

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide?
The IUPAC name of (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide (CID 124949686) is (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide is Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1.
What is the InChIKey of (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide?
The InChIKey is CVWBXDHSOZWIQC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O2S2/c1-12-8-15(20-17-18-10-13(2)25-17)9-16(19-12)14-6-5-7-22(11-14)26(23,24)21(3)4/h8-10,14H,5-7,11H2,1-4H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide?
(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide has a molecular weight of 395.55 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide is sourced from PubChem (CID 124949686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).