N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide

C10H20N2O3S — CID 63193390

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(C)(CN)NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-10(2,7-11)12-9(13)5-8-3-4-16(14,15)6-8/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyXZGQWLKIZJUNMI-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.34
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide

N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 63193390) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID63193390
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(C)(CN)NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O3S/c1-10(2,7-11)12-9(13)5-8-3-4-16(14,15)6-8/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyXZGQWLKIZJUNMI-UHFFFAOYSA-N
XLogP-0.34
TPSA89.26 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 ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 61263031
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 107846359
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43649140
N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222590
2-(1,1-dioxothiolan-3-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65114161
N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 65189052
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 113240352
2-(1,1-dioxothiolan-3-yl)-N-piperidin-4-ylacetamide
CID 43649180
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95622373
2-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide
CID 114290613

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide (CID 63193390) is N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide is CC(C)(CN)NC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is XZGQWLKIZJUNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2,7-11)12-9(13)5-8-3-4-16(14,15)6-8/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide?
N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 248.35 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 63193390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).