2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide

C10H20N2O3S — CID 60720147

IUPAC2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-8(2)12-9(13)6-11-10(3)4-5-16(14,15)7-10/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyMYRZWZOVOPNOOS-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.32
Rot. Bonds4

About 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide

2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide (PubChem CID 60720147) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide
PubChem CID60720147
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-8(2)12-9(13)6-11-10(3)4-5-16(14,15)7-10/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyMYRZWZOVOPNOOS-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 18124406
N-(4-bromophenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 60655415
2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-N-(3-methylphenyl)acetamide
CID 41411938
N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18124417
2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7059103
N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18192854
3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine
CID 43679704
3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]propanoic acid
CID 129366944
2-amino-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propanamide
CID 103245063
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
methyl 5-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]furan-2-carboxylate
CID 43424921
3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine
CID 60720123

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide (CID 60720147) is 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is MYRZWZOVOPNOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)12-9(13)6-11-10(3)4-5-16(14,15)7-10/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide?
2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 248.35 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60720147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).