(1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide

C8H14N2O4S — CID 136580902

IUPAC(1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)NS(=O)(=O)CC(N)=O
InChIInChI=1S/C8H14N2O4S/c1-8(2)3-5(8)7(12)10-15(13,14)4-6(9)11/h5H,3-4H2,1-2H3,(H2,9,11)(H,10,12)/t5-/m1/s1
InChIKeyDXERKBVRSBGHCO-RXMQYKEDSA-N
MW234.28 g/mol
LogP-1.04
Rot. Bonds4

About (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 136580902) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID136580902
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name(1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)NS(=O)(=O)CC(N)=O
InChIInChI=1S/C8H14N2O4S/c1-8(2)3-5(8)7(12)10-15(13,14)4-6(9)11/h5H,3-4H2,1-2H3,(H2,9,11)(H,10,12)/t5-/m1/s1
InChIKeyDXERKBVRSBGHCO-RXMQYKEDSA-N
XLogP-1.04
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclopropane-1-carboxamide
CID 103901247
2-[(2,2-dimethylcyclopropanecarbonyl)amino]oxyacetic acid
CID 107000421
N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003388
N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003340
N-[1-(hydroxymethyl)cyclobutyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 103881165
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107846961
N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130635135
N-cyclopropyl-2,2-dimethylcyclopropane-1-carboxamide
CID 103837193
4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide
CID 103307661
N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000185
2-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107000450
(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131110445

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide (CID 136580902) is (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C[C@@H]1C(=O)NS(=O)(=O)CC(N)=O.
What is the InChIKey of (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is DXERKBVRSBGHCO-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-8(2)3-5(8)7(12)10-15(13,14)4-6(9)11/h5H,3-4H2,1-2H3,(H2,9,11)(H,10,12)/t5-/m1/s1.
What are the key properties of (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 234.28 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-amino-2-oxoethyl)sulfonyl-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 136580902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).