3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide

C18H27N3O3S — CID 136582189

IUPAC3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide
SMILESCC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1c1cccnc1
InChIInChI=1S/C18H27N3O3S/c1-18(2)12-21(16(18)13-7-6-10-19-11-13)17(22)20-14-8-4-5-9-15(14)25(3,23)24/h6-7,10-11,14-16H,4-5,8-9,12H2,1-3H3,(H,20,22)/t14-,15-,16?/m1/s1
InChIKeyDPTOHJBBSVQPDJ-YGFGXBMJSA-N
MW365.50 g/mol
LogP2.53
Rot. Bonds3

About 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide

3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 136582189) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide
PubChem CID136582189
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide
SMILESCC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1c1cccnc1
InChIInChI=1S/C18H27N3O3S/c1-18(2)12-21(16(18)13-7-6-10-19-11-13)17(22)20-14-8-4-5-9-15(14)25(3,23)24/h6-7,10-11,14-16H,4-5,8-9,12H2,1-3H3,(H,20,22)/t14-,15-,16?/m1/s1
InChIKeyDPTOHJBBSVQPDJ-YGFGXBMJSA-N
XLogP2.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide with MolForge

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Related Compounds

2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone
CID 128591604
4-[[(3,3-dimethyl-2-pyridin-3-ylazetidine-1-carbonyl)amino]methyl]benzoic acid
CID 122020132
2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 75384290
(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 166268676
(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone
CID 136552856
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
3-(1,3,3-trimethylpyrrolidin-2-yl)pyridine
CID 13292849
N-(4-methoxybenzoyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 23738906
N-[2-[1-(2-pyridin-3-yloxypropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 154739755
N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]oxane-2-carboxamide
CID 127265241
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
CID 70556127

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide (CID 136582189) is 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide is CC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1c1cccnc1.
What is the InChIKey of 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide?
The InChIKey is DPTOHJBBSVQPDJ-YGFGXBMJSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-18(2)12-21(16(18)13-7-6-10-19-11-13)17(22)20-14-8-4-5-9-15(14)25(3,23)24/h6-7,10-11,14-16H,4-5,8-9,12H2,1-3H3,(H,20,22)/t14-,15-,16?/m1/s1.
What are the key properties of 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide?
3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 136582189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).