N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide

C11H17N3O2S2 — CID 54972563

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H17N3O2S2/c15-18(16,7-9-2-1-5-12-9)14-11-13-10(6-17-11)8-3-4-8/h6,8-9,12H,1-5,7H2,(H,13,14)
InChIKeyVSHUAIBKNPBNLA-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.51
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54972563) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54972563
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H17N3O2S2/c15-18(16,7-9-2-1-5-12-9)14-11-13-10(6-17-11)8-3-4-8/h6,8-9,12H,1-5,7H2,(H,13,14)
InChIKeyVSHUAIBKNPBNLA-UHFFFAOYSA-N
XLogP1.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480
N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974227
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106049173
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119897347
1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63825222
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole
CID 106053665
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61480656
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
CID 61479666
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide
CID 62157211
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 54972563) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCN1)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is VSHUAIBKNPBNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c15-18(16,7-9-2-1-5-12-9)14-11-13-10(6-17-11)8-3-4-8/h6,8-9,12H,1-5,7H2,(H,13,14).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 287.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54972563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).