2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide

C12H22N2O3S — CID 82763912

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(C)CCCC1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O3S/c1-12(6-3-4-10(12)13)11(15)14(2)9-5-7-18(16,17)8-9/h9-10H,3-8,13H2,1-2H3
InChIKeyRUJLVJHDWRHFGL-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.15
Rot. Bonds2

About 2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide

2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide (PubChem CID 82763912) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide
PubChem CID82763912
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(C)CCCC1N)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O3S/c1-12(6-3-4-10(12)13)11(15)14(2)9-5-7-18(16,17)8-9/h9-10H,3-8,13H2,1-2H3
InChIKeyRUJLVJHDWRHFGL-UHFFFAOYSA-N
XLogP0.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethylcyclohexyl)-N,1-dimethylcyclopentane-1-carboxamide
CID 82765636
1-cyano-N-(1,1-dioxothiolan-3-yl)-N-methylcyclobutane-1-carboxamide
CID 78994709
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-(1,1-dioxothiolan-3-yl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80597376
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198221
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
1-N-cycloheptyl-1-N'-(1,1-dioxothiolan-3-yl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978034
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
2-amino-N-cyclohexyl-N-ethyl-1-methylcyclopentane-1-carboxamide
CID 82765419
N-(1,1-dioxothiolan-3-yl)-4-(N'-hydroxycarbamimidoyl)-N-methyloxane-4-carboxamide
CID 76920716
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide (CID 82763912) is 2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide is CN(C(=O)C1(C)CCCC1N)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide?
The InChIKey is RUJLVJHDWRHFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-12(6-3-4-10(12)13)11(15)14(2)9-5-7-18(16,17)8-9/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)-N,1-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 82763912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).