(3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide

C17H25N3O3S — CID 129347090

IUPAC(3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide
SMILESCc1nc(C2CC2)ccc1C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1
InChIInChI=1S/C17H25N3O3S/c1-12-15(8-9-16(18-12)13-6-7-13)17(21)20-10-4-5-14(11-20)24(22,23)19(2)3/h8-9,13-14H,4-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyMZZQBEFXKLHQDX-CQSZACIVSA-N
MW351.47 g/mol
LogP1.76
Rot. Bonds4

About (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide

(3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide (PubChem CID 129347090) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide
PubChem CID129347090
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name(3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide
SMILESCc1nc(C2CC2)ccc1C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1
InChIInChI=1S/C17H25N3O3S/c1-12-15(8-9-16(18-12)13-6-7-13)17(21)20-10-4-5-14(11-20)24(22,23)19(2)3/h8-9,13-14H,4-7,10-11H2,1-3H3/t14-/m1/s1
InChIKeyMZZQBEFXKLHQDX-CQSZACIVSA-N
XLogP1.76
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide with MolForge

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Related Compounds

1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide
CID 62830617
1-(isoquinoline-5-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide
CID 146086773
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 124938243
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134005087
[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 124938472
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119465061
(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 99718288

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide?
The IUPAC name of (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide (CID 129347090) is (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide.
What is the SMILES notation for (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide?
The canonical SMILES for (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide is Cc1nc(C2CC2)ccc1C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1.
What is the InChIKey of (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide?
The InChIKey is MZZQBEFXKLHQDX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12-15(8-9-16(18-12)13-6-7-13)17(21)20-10-4-5-14(11-20)24(22,23)19(2)3/h8-9,13-14H,4-7,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide?
(3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide is sourced from PubChem (CID 129347090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).