cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide

C9H16N2O3S — CID 70896990

IUPACcis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@]1(N)C(=O)N(C)S(=O)(=O)C1CC1
InChIInChI=1S/C9H16N2O3S/c1-6-5-9(6,10)8(12)11(2)15(13,14)7-3-4-7/h6-7H,3-5,10H2,1-2H3/t6-,9-/m1/s1
InChIKeyITAWLDVAMHMSPA-HZGVNTEJSA-N
MW232.30 g/mol
LogP-0.33
Rot. Bonds3

About cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide

cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 70896990) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID70896990
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Namecis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@]1(N)C(=O)N(C)S(=O)(=O)C1CC1
InChIInChI=1S/C9H16N2O3S/c1-6-5-9(6,10)8(12)11(2)15(13,14)7-3-4-7/h6-7H,3-5,10H2,1-2H3/t6-,9-/m1/s1
InChIKeyITAWLDVAMHMSPA-HZGVNTEJSA-N
XLogP-0.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,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

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide (CID 70896990) is cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide is C[C@@H]1C[C@]1(N)C(=O)N(C)S(=O)(=O)C1CC1.
What is the InChIKey of cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is ITAWLDVAMHMSPA-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-6-5-9(6,10)8(12)11(2)15(13,14)7-3-4-7/h6-7H,3-5,10H2,1-2H3/t6-,9-/m1/s1.
What are the key properties of cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide?
cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 232.30 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 70896990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).