1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide

C9H16N2O3S — CID 65464423

IUPAC1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
SMILESCC1(NC(=O)C2(N)CC2)CCS(=O)(=O)C1
InChIInChI=1S/C9H16N2O3S/c1-8(4-5-15(13,14)6-8)11-7(12)9(10)2-3-9/h2-6,10H2,1H3,(H,11,12)
InChIKeyJAMLRJSDQHHGLL-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.83
Rot. Bonds2

About 1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide

1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide (PubChem CID 65464423) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
PubChem CID65464423
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
SMILESCC1(NC(=O)C2(N)CC2)CCS(=O)(=O)C1
InChIInChI=1S/C9H16N2O3S/c1-8(4-5-15(13,14)6-8)11-7(12)9(10)2-3-9/h2-6,10H2,1H3,(H,11,12)
InChIKeyJAMLRJSDQHHGLL-UHFFFAOYSA-N
XLogP-0.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
4-amino-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)oxolane-3-carboxamide
CID 66249046
3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
CID 63130167
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 7058895
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-sulfanylpropanamide
CID 107027169
5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60940763
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
CID 43697288
4-(N'-hydroxycarbamimidoyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)oxane-4-carboxamide
CID 76923707
5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide
CID 82848148
[(3S)-3-methyl-1,1-dioxothiolan-3-yl]carbamothioylsulfanyl N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioate
CID 51496111

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide (CID 65464423) is 1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide is CC1(NC(=O)C2(N)CC2)CCS(=O)(=O)C1.
What is the InChIKey of 1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide?
The InChIKey is JAMLRJSDQHHGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-8(4-5-15(13,14)6-8)11-7(12)9(10)2-3-9/h2-6,10H2,1H3,(H,11,12).
What are the key properties of 1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide?
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide has a molecular weight of 232.30 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65464423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).