N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide

C10H20N2O3S — CID 81038798

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-8(2)11-7-10(13)12-6-9-4-3-5-16(9,14)15/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyRBEDBQZEFGYKSH-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.32
Rot. Bonds5

About N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide

N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 81038798) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID81038798
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-8(2)11-7-10(13)12-6-9-4-3-5-16(9,14)15/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyRBEDBQZEFGYKSH-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

N-[(1,1-dioxothiolan-2-yl)methyl]-2-sulfanylacetamide
CID 81046326
6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide
CID 81039232
N-[(1,1-dioxothiolan-2-yl)methyl]prop-2-enamide
CID 81039292
1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-[(2S)-5-methylhexan-2-yl]urea
CID 97080784
(2S)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]butanamide
CID 81039235
N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
CID 81040634
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471
(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide
CID 103930251
N-[(4-ethylcyclohexyl)methyl]-2-(propan-2-ylamino)acetamide
CID 54880897
N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]propanamide
CID 81040006
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide
CID 81100896
1-butyl-3-[[(2S)-1,1-dioxothiolan-2-yl]methyl]urea
CID 97027617

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide (CID 81038798) is N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCC1CCCS1(=O)=O.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is RBEDBQZEFGYKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)11-7-10(13)12-6-9-4-3-5-16(9,14)15/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 248.35 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 81038798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).