N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide

C9H17NO4S — CID 65109822

IUPACN-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide
SMILESCC(C)(O)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO4S/c1-9(2,12)6-10-8(11)7-3-4-15(13,14)5-7/h7,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyYKFANPHDYDHOEI-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.69
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide

N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 65109822) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID65109822
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC NameN-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide
SMILESCC(C)(O)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO4S/c1-9(2,12)6-10-8(11)7-3-4-15(13,14)5-7/h7,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyYKFANPHDYDHOEI-UHFFFAOYSA-N
XLogP-0.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)pivalamide
CID 47157030
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)isobutyramide
CID 49724748
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylbutanamide
CID 126609000
N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide
CID 126609001
4-Ethylsulfanyl-1-(3-methylbutylamino)-1-oxobutane-2-sulfonic acid
CID 135259379
1-(3-Methylbutylamino)-1-oxo-4-propan-2-ylsulfanylbutane-2-sulfonic acid
CID 135259393
N-[2-(3-methylbutylsulfonyl)ethyl]butanamide
CID 155055629
3-methyl-N-[2-(3-methylbutylsulfonyl)ethyl]butanamide
CID 169660138
2-methyl-N-(2-propylsulfonylethyl)butanamide
CID 170049707
2-hydroxy-2-methyl-N-propan-2-yl-3-propan-2-ylsulfonylpropanamide
CID 177122851
N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 3709918
N-(4-Hydroxy-1,1-dioxo-1lambda6-thiolan-3-yl)-3-methylbutanamide
CID 24284662

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide (CID 65109822) is N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide is CC(C)(O)CNC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is YKFANPHDYDHOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-9(2,12)6-10-8(11)7-3-4-15(13,14)5-7/h7,12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 235.30 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 65109822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).