N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide

C10H19NO3S — CID 3450541

IUPACN-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-8(2)6-10(12)11(3)9-4-5-15(13,14)7-9/h8-9H,4-7H2,1-3H3
InChIKeyUBBGZHCUXMJPOH-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.68
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide

N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide (PubChem CID 3450541) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
PubChem CID3450541
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-8(2)6-10(12)11(3)9-4-5-15(13,14)7-9/h8-9H,4-7H2,1-3H3
InChIKeyUBBGZHCUXMJPOH-UHFFFAOYSA-N
XLogP0.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-propan-2-ylpropanediamide
CID 108940820
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60849550
methyl 2-[(1,1-dioxothiolan-3-yl)-(3-methylbutanoyl)amino]acetate
CID 43839665
N-(1,1-dioxothiolan-3-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 60691709
2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110687013
2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 60671834
N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
CID 115637928
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136861

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide (CID 3450541) is N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide?
The InChIKey is UBBGZHCUXMJPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8(2)6-10(12)11(3)9-4-5-15(13,14)7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide?
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide has a molecular weight of 233.33 g/mol, XLogP of 0.68, 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)-N,3-dimethylbutanamide is sourced from PubChem (CID 3450541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).