N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide

C15H21N3O3S — CID 164631317

IUPACN-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
SMILESCc1ccncc1C(=O)N1CCC2(CC1)C[C@@H]2NS(C)(=O)=O
InChIInChI=1S/C15H21N3O3S/c1-11-3-6-16-10-12(11)14(19)18-7-4-15(5-8-18)9-13(15)17-22(2,20)21/h3,6,10,13,17H,4-5,7-9H2,1-2H3/t13-/m0/s1
InChIKeyAGJZACJTJRBZRX-ZDUSSCGKSA-N
MW323.42 g/mol
LogP0.93
Rot. Bonds3

About N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide

N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide (PubChem CID 164631317) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
PubChem CID164631317
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
SMILESCc1ccncc1C(=O)N1CCC2(CC1)C[C@@H]2NS(C)(=O)=O
InChIInChI=1S/C15H21N3O3S/c1-11-3-6-16-10-12(11)14(19)18-7-4-15(5-8-18)9-13(15)17-22(2,20)21/h3,6,10,13,17H,4-5,7-9H2,1-2H3/t13-/m0/s1
InChIKeyAGJZACJTJRBZRX-ZDUSSCGKSA-N
XLogP0.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-[7-(4-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897132
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone
CID 110197948
(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895593
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012576
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 120819643
2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 128721004
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
N-[9-(pyridine-3-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155825972
8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155831091
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide (CID 164631317) is N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide is Cc1ccncc1C(=O)N1CCC2(CC1)C[C@@H]2NS(C)(=O)=O.
What is the InChIKey of N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide?
The InChIKey is AGJZACJTJRBZRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11-3-6-16-10-12(11)14(19)18-7-4-15(5-8-18)9-13(15)17-22(2,20)21/h3,6,10,13,17H,4-5,7-9H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide?
N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanesulfonamide is sourced from PubChem (CID 164631317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).