N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide

C16H24N4O3S — CID 75476262

IUPACN-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide
SMILESCN(C)c1ncccc1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C16H24N4O3S/c1-19(2)15-14(8-5-9-17-15)16(21)20-10-13(11-20)24(22,23)18-12-6-3-4-7-12/h5,8-9,12-13,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyJXQIYQYYXAKWMZ-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.83
Rot. Bonds5

About N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide

N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide (PubChem CID 75476262) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide
PubChem CID75476262
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide
SMILESCN(C)c1ncccc1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C16H24N4O3S/c1-19(2)15-14(8-5-9-17-15)16(21)20-10-13(11-20)24(22,23)18-12-6-3-4-7-12/h5,8-9,12-13,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyJXQIYQYYXAKWMZ-UHFFFAOYSA-N
XLogP0.83
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348566
(3R)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348567
N-cyclopentyl-1-(2-pyrimidin-5-ylbenzoyl)azetidine-3-sulfonamide
CID 75476264
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
3-(cyclopentylsulfamoyl)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 75476054
N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide
CID 136522204
[2-(dimethylamino)-3-pyridinyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94570501
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
CID 55686438
N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 135110737
tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 110312079
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide?
The IUPAC name of N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide (CID 75476262) is N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide is CN(C)c1ncccc1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide?
The InChIKey is JXQIYQYYXAKWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-19(2)15-14(8-5-9-17-15)16(21)20-10-13(11-20)24(22,23)18-12-6-3-4-7-12/h5,8-9,12-13,18H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide?
N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]azetidine-3-sulfonamide is sourced from PubChem (CID 75476262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).