N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide

C8H16N2O3S — CID 61058518

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-9-5-8(11)10-4-7-2-3-14(12,13)6-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyARPWWYMWRNKRAL-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.24
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide

N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide (PubChem CID 61058518) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide
PubChem CID61058518
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-9-5-8(11)10-4-7-2-3-14(12,13)6-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyARPWWYMWRNKRAL-UHFFFAOYSA-N
XLogP-1.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 61057544
1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 80592027
N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
CID 79210223
5-[(1,1-dioxothiolan-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62966304
N-[(1,1-dioxothian-3-yl)methyl]propanamide
CID 138722362
2-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 107904735
(2S)-2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 51892168
ethyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
CID 3091624
3-[(1,1-dioxothiolan-3-yl)methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821582
3-[(1,1-dioxothiolan-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897762
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 47156970
2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 94190311

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide (CID 61058518) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide is CNCC(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide?
The InChIKey is ARPWWYMWRNKRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-9-5-8(11)10-4-7-2-3-14(12,13)6-7/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide has a molecular weight of 220.29 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 61058518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).