N-(1,1-dioxothian-4-yl)-3-methylbutanamide

C10H19NO3S — CID 118669230

IUPACN-(1,1-dioxothian-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO3S/c1-8(2)7-10(12)11-9-3-5-15(13,14)6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyIXBBHSDDRRUYON-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.73
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-3-methylbutanamide

N-(1,1-dioxothian-4-yl)-3-methylbutanamide (PubChem CID 118669230) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-3-methylbutanamide
PubChem CID118669230
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(1,1-dioxothian-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO3S/c1-8(2)7-10(12)11-9-3-5-15(13,14)6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyIXBBHSDDRRUYON-UHFFFAOYSA-N
XLogP0.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-cyclohexylacetamide
CID 3242717
N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64123102
N-[(4-methyl-1,1-dioxothian-4-yl)methyl]-3-sulfanylpropanamide
CID 177681351
(3R)-N-(4-methylcyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 25676322
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899
(2S)-2-cyclohexylsulfonyl-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 96549331
N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 5107420
N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
CID 166638056
N-Cyclohexyl-2-ethyl-2-(ethylsulfonyl)butyramide
CID 3027789
N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
CID 126840780
N-(1,1-dioxothian-3-yl)-4,4,4-trifluorobutanamide
CID 136528683

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-3-methylbutanamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-3-methylbutanamide (CID 118669230) is N-(1,1-dioxothian-4-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-3-methylbutanamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-3-methylbutanamide is CC(C)CC(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-3-methylbutanamide?
The InChIKey is IXBBHSDDRRUYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8(2)7-10(12)11-9-3-5-15(13,14)6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(1,1-dioxothian-4-yl)-3-methylbutanamide?
N-(1,1-dioxothian-4-yl)-3-methylbutanamide has a molecular weight of 233.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-3-methylbutanamide is sourced from PubChem (CID 118669230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).