N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide

C8H12N2O2S2 — CID 97064545

IUPACN-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H](c1nccs1)C1CC1
InChIInChI=1S/C8H12N2O2S2/c1-14(11,12)10-7(6-2-3-6)8-9-4-5-13-8/h4-7,10H,2-3H2,1H3/t7-/m0/s1
InChIKeySTRWHSOGXBGNGR-ZETCQYMHSA-N
MW232.33 g/mol
LogP1.14
Rot. Bonds4

About N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide

N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide (PubChem CID 97064545) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide
PubChem CID97064545
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC NameN-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H](c1nccs1)C1CC1
InChIInChI=1S/C8H12N2O2S2/c1-14(11,12)10-7(6-2-3-6)8-9-4-5-13-8/h4-7,10H,2-3H2,1H3/t7-/m0/s1
InChIKeySTRWHSOGXBGNGR-ZETCQYMHSA-N
XLogP1.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide (CID 97064545) is N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide is CS(=O)(=O)N[C@H](c1nccs1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is STRWHSOGXBGNGR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-14(11,12)10-7(6-2-3-6)8-9-4-5-13-8/h4-7,10H,2-3H2,1H3/t7-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide?
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide has a molecular weight of 232.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 97064545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).