2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide

C12H24N2O3S — CID 54962256

IUPAC2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-9(2)10(3)14-12(15)8-13-11-4-6-18(16,17)7-5-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeySSUZUBHLOZVBDF-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.31
Rot. Bonds5

About 2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide

2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 54962256) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID54962256
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-9(2)10(3)14-12(15)8-13-11-4-6-18(16,17)7-5-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeySSUZUBHLOZVBDF-UHFFFAOYSA-N
XLogP0.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide
CID 60847953
2-[(3-methoxycyclopentyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 114117988
2-(cyclopropylamino)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide;hydrochloride
CID 110012022
2-[(2-hydroxycyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 62360034
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60694173
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(cyclopropylamino)-N-(2-methylpentan-3-yl)acetamide
CID 61470431
N-(3-methylbutan-2-yl)-2-[(1-methyl-6-oxopiperidin-3-yl)amino]acetamide
CID 64655543
2-[(1,1-dioxothian-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961742
3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid
CID 61160049
N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide
CID 43615220
4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
CID 64910901

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide (CID 54962256) is 2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNC1CCS(=O)(=O)CC1.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is SSUZUBHLOZVBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-9(2)10(3)14-12(15)8-13-11-4-6-18(16,17)7-5-11/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)amino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 54962256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).