N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide

C8H12N2O2S2 — CID 110715902

IUPACN-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C8H12N2O2S2/c1-14(11,12)10(7-2-3-7)6-8-9-4-5-13-8/h4-5,7H,2-3,6H2,1H3
InChIKeyIWTCJSMDQBCIER-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.07
Rot. Bonds4

About N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide

N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide (PubChem CID 110715902) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
PubChem CID110715902
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC NameN-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C8H12N2O2S2/c1-14(11,12)10(7-2-3-7)6-8-9-4-5-13-8/h4-5,7H,2-3,6H2,1H3
InChIKeyIWTCJSMDQBCIER-UHFFFAOYSA-N
XLogP1.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide (CID 110715902) is N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide?
The InChIKey is IWTCJSMDQBCIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-14(11,12)10(7-2-3-7)6-8-9-4-5-13-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide?
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide has a molecular weight of 232.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110715902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).