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

C10H19NO3S — CID 126609001

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-3-8(2)10(12)11-6-9-4-5-15(13,14)7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyLZNKTSKDLTXEBS-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.58
Rot. Bonds4

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

N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide (PubChem CID 126609001) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide
PubChem CID126609001
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-3-8(2)10(12)11-6-9-4-5-15(13,14)7-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyLZNKTSKDLTXEBS-UHFFFAOYSA-N
XLogP0.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
3-(Piperazine-1-carbonyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16276555
(4S)-4-methanesulfonylpyrrolidin-2-one
CID 130787450
2-(1,1-dioxothiolan-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177680466
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide
CID 7613961
3-(Piperazine-1-carbonyl)-1lambda6-thiolane-1,1-dione
CID 16227023
tert-butyl N-[3-[(1,1-dioxothiolane-3-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate
CID 56804881
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899
N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide
CID 136527412
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579
2-methyl-N-(4,4,4-trifluoro-3-methylsulfonylbutyl)propanamide
CID 167018805

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide (CID 126609001) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide is CCC(C)C(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide?
The InChIKey is LZNKTSKDLTXEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-3-8(2)10(12)11-6-9-4-5-15(13,14)7-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide has a molecular weight of 233.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 126609001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).