2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide

C9H15N3O3S2 — CID 124573274

IUPAC2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCC[C@H](NC(=O)CNS(C)(=O)=O)c1nccs1
InChIInChI=1S/C9H15N3O3S2/c1-3-7(9-10-4-5-16-9)12-8(13)6-11-17(2,14)15/h4-5,7,11H,3,6H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyVAOCKFRGABPWFR-ZETCQYMHSA-N
MW277.37 g/mol
LogP0.26
Rot. Bonds6

About 2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide

2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 124573274) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
PubChem CID124573274
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCC[C@H](NC(=O)CNS(C)(=O)=O)c1nccs1
InChIInChI=1S/C9H15N3O3S2/c1-3-7(9-10-4-5-16-9)12-8(13)6-11-17(2,14)15/h4-5,7,11H,3,6H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyVAOCKFRGABPWFR-ZETCQYMHSA-N
XLogP0.26
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide (CID 124573274) is 2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide is CC[C@H](NC(=O)CNS(C)(=O)=O)c1nccs1.
What is the InChIKey of 2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is VAOCKFRGABPWFR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-3-7(9-10-4-5-16-9)12-8(13)6-11-17(2,14)15/h4-5,7,11H,3,6H2,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of 2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide?
2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 124573274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).