2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C10H18N2O3S — CID 60671834

IUPAC2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(C(=O)CNC1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c1-12(9-4-5-16(14,15)7-9)10(13)6-11-8-2-3-8/h8-9,11H,2-7H2,1H3
InChIKeyNVLHKYLXUMUOMF-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.62
Rot. Bonds4

About 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 60671834) 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)-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID60671834
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(C(=O)CNC1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N2O3S/c1-12(9-4-5-16(14,15)7-9)10(13)6-11-8-2-3-8/h8-9,11H,2-7H2,1H3
InChIKeyNVLHKYLXUMUOMF-UHFFFAOYSA-N
XLogP-0.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
2-acetamido-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110687013
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]propanamide
CID 47412407
2-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65265770
N-cyclopropyl-N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069495
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
(3Z)-3-amino-N-(1,1-dioxothiolan-3-yl)-3-hydroxyimino-N-methylpropanamide
CID 43649050
N-(1,1-dioxothiolan-3-yl)-2-(2-hydroxyethoxy)-N-methylacetamide
CID 110678224
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-propan-2-ylpropanediamide
CID 108940820

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 60671834) is 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CN(C(=O)CNC1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is NVLHKYLXUMUOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-12(9-4-5-16(14,15)7-9)10(13)6-11-8-2-3-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 246.33 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 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)-N-methylacetamide is sourced from PubChem (CID 60671834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).