N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide

C13H25NO3S — CID 136527412

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide
SMILESCC(C(=O)N(C)CC1CCS(=O)(=O)C1)C(C)(C)C
InChIInChI=1S/C13H25NO3S/c1-10(13(2,3)4)12(15)14(5)8-11-6-7-18(16,17)9-11/h10-11H,6-9H2,1-5H3
InChIKeyLEDNVVXYQNZPSL-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.56
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide

N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide (PubChem CID 136527412) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide
PubChem CID136527412
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide
SMILESCC(C(=O)N(C)CC1CCS(=O)(=O)C1)C(C)(C)C
InChIInChI=1S/C13H25NO3S/c1-10(13(2,3)4)12(15)14(5)8-11-6-7-18(16,17)9-11/h10-11H,6-9H2,1-5H3
InChIKeyLEDNVVXYQNZPSL-UHFFFAOYSA-N
XLogP1.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide (CID 136527412) is N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide is CC(C(=O)N(C)CC1CCS(=O)(=O)C1)C(C)(C)C.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide?
The InChIKey is LEDNVVXYQNZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-10(13(2,3)4)12(15)14(5)8-11-6-7-18(16,17)9-11/h10-11H,6-9H2,1-5H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide has a molecular weight of 275.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide is sourced from PubChem (CID 136527412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).