2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide

C11H22N2O5S2 — CID 136582109

IUPAC2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide
SMILESCC(C)C(NS(C)(=O)=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C
InChIInChI=1S/C11H22N2O5S2/c1-7(2)10(13-19(4,15)16)11(14)12-9-6-20(17,18)5-8(9)3/h7-10,13H,5-6H2,1-4H3,(H,12,14)/t8-,9+,10?/m0/s1
InChIKeyTZRSVJSHGXMZIE-QIIDTADFSA-N
MW326.44 g/mol
LogP-0.89
Rot. Bonds5

About 2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide

2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide (PubChem CID 136582109) has the molecular formula C11H22N2O5S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide
PubChem CID136582109
Molecular FormulaC11H22N2O5S2
Molecular Weight326.44 g/mol
Exact Mass326.10
IUPAC Name2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide
SMILESCC(C)C(NS(C)(=O)=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C
InChIInChI=1S/C11H22N2O5S2/c1-7(2)10(13-19(4,15)16)11(14)12-9-6-20(17,18)5-8(9)3/h7-10,13H,5-6H2,1-4H3,(H,12,14)/t8-,9+,10?/m0/s1
InChIKeyTZRSVJSHGXMZIE-QIIDTADFSA-N
XLogP-0.89
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide?
The IUPAC name of 2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide (CID 136582109) is 2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide.
What is the SMILES notation for 2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide?
The canonical SMILES for 2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide is CC(C)C(NS(C)(=O)=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C.
What is the InChIKey of 2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide?
The InChIKey is TZRSVJSHGXMZIE-QIIDTADFSA-N. The full InChI is InChI=1S/C11H22N2O5S2/c1-7(2)10(13-19(4,15)16)11(14)12-9-6-20(17,18)5-8(9)3/h7-10,13H,5-6H2,1-4H3,(H,12,14)/t8-,9+,10?/m0/s1.
What are the key properties of 2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide?
2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide has a molecular weight of 326.44 g/mol, XLogP of -0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-3-methyl-N-[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]butanamide is sourced from PubChem (CID 136582109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).