N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide

C11H15N3O3S — CID 95815582

IUPACN,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C11H15N3O3S/c1-13(2)11(15)9-7-14(8-9)18(16,17)10-4-3-5-12-6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyDWSYZHOUDWZMSK-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.21
Rot. Bonds3

About N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide

N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide (PubChem CID 95815582) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
PubChem CID95815582
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C11H15N3O3S/c1-13(2)11(15)9-7-14(8-9)18(16,17)10-4-3-5-12-6-10/h3-6,9H,7-8H2,1-2H3
InChIKeyDWSYZHOUDWZMSK-UHFFFAOYSA-N
XLogP-0.21
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 154898078
N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46409150
(2,6-dimethylmorpholin-4-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46407466
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
(6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440370
N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide
CID 110253727
2-hydroxy-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxybenzoic acid
CID 155601036
2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 134690227

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide (CID 95815582) is N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide is CN(C)C(=O)C1CN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide?
The InChIKey is DWSYZHOUDWZMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-13(2)11(15)9-7-14(8-9)18(16,17)10-4-3-5-12-6-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide?
N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 95815582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).