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

C10H18N2O3S — CID 61057544

IUPAC2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
SMILESO=C(CNC1CC1)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c13-10(6-11-9-1-2-9)12-5-8-3-4-16(14,15)7-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyJFOSSWAPBNAKKZ-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.71
Rot. Bonds5

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

2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide (PubChem CID 61057544) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
PubChem CID61057544
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
SMILESO=C(CNC1CC1)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c13-10(6-11-9-1-2-9)12-5-8-3-4-16(14,15)7-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyJFOSSWAPBNAKKZ-UHFFFAOYSA-N
XLogP-0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide
CID 61058518
N-[(1,1-dioxothiolan-3-yl)methyl]-5-hydroxypentanamide
CID 79210223
2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
CID 54898471
2-(cyclohexylamino)-N-(cyclopropylmethyl)acetamide
CID 28565073
4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808097
3-[(1,1-dioxothiolan-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897762
5-[(1,1-dioxothiolan-3-yl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62966304
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
N-[(1,1-dioxothian-3-yl)methyl]propanamide
CID 138722362
2-[4-(aminomethyl)phenyl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63590687
4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine
CID 60733471
(2S)-2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 51892168

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide (CID 61057544) is 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide is O=C(CNC1CC1)NCC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The InChIKey is JFOSSWAPBNAKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10(6-11-9-1-2-9)12-5-8-3-4-16(14,15)7-8/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide has a molecular weight of 246.33 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 61057544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).