N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide

C8H15NO3S — CID 5107420

IUPACN-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-6(2)8(10)9-7-3-4-13(11,12)5-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyCMRCRFRJINUHQR-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.05
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide

N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide (PubChem CID 5107420) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
PubChem CID5107420
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO3S/c1-6(2)8(10)9-7-3-4-13(11,12)5-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyCMRCRFRJINUHQR-UHFFFAOYSA-N
XLogP-0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylpropionamide
CID 18573520
N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64123102
3-amino-N-(1,1-dioxidotetrahydrothien-3-yl)propanamide hydrochloride
CID 42943455
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-(ethylamino)acetamide
CID 3682000
3-Amino-N-(1,1-dioxo-1lambda6-thiolan-3-yl)propanamide
CID 20121318
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(methylamino)acetamide
CID 24690088
N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 43054119
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899
N-(1,1-dioxothiolan-3-yl)acetamide
CID 237864
N-(1,1-Dioxidotetrahydrothiophen-3-yl)pivalamide
CID 45595595
N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
CID 166638056

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide (CID 5107420) is N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide is CC(C)C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
The InChIKey is CMRCRFRJINUHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-6(2)8(10)9-7-3-4-13(11,12)5-7/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide?
N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide has a molecular weight of 205.28 g/mol, XLogP of -0.05, 2 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)-2-methylpropanamide is sourced from PubChem (CID 5107420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).