1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide

C15H23N3O3S2 — CID 75476220

IUPAC1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)cs1
InChIInChI=1S/C15H23N3O3S2/c1-11-16-13(10-22-11)7-17(2)23(20,21)14-8-18(9-14)15(19)12-5-3-4-6-12/h10,12,14H,3-9H2,1-2H3
InChIKeyDSAWEAVQJWEYCY-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.61
Rot. Bonds5

About 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide

1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide (PubChem CID 75476220) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide
PubChem CID75476220
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)cs1
InChIInChI=1S/C15H23N3O3S2/c1-11-16-13(10-22-11)7-17(2)23(20,21)14-8-18(9-14)15(19)12-5-3-4-6-12/h10,12,14H,3-9H2,1-2H3
InChIKeyDSAWEAVQJWEYCY-UHFFFAOYSA-N
XLogP1.61
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide with MolForge

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Related Compounds

methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103342854
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentanecarboximidamide
CID 63177176
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95463607
1-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 96576936
[3-(methylamino)piperidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119489323
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86853856
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 60963485
4-[2-[(2S)-2-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1,3-thiazole
CID 92634264

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide (CID 75476220) is 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide is Cc1nc(CN(C)S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)cs1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide?
The InChIKey is DSAWEAVQJWEYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-11-16-13(10-22-11)7-17(2)23(20,21)14-8-18(9-14)15(19)12-5-3-4-6-12/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide?
1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide has a molecular weight of 357.50 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidine-3-sulfonamide is sourced from PubChem (CID 75476220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).