trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide

C9H18N2O3S — CID 94816215

IUPACtrans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCCS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C9H18N2O3S/c1-3-15(13,14)11-5-4-10-9(12)8-6-7(8)2/h7-8,11H,3-6H2,1-2H3,(H,10,12)/t7-,8-/m1/s1
InChIKeyKVBARUHPCPQYMW-HTQZYQBOSA-N
MW234.32 g/mol
LogP-0.30
Rot. Bonds6

About trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94816215) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94816215
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Nametrans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCCS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C9H18N2O3S/c1-3-15(13,14)11-5-4-10-9(12)8-6-7(8)2/h7-8,11H,3-6H2,1-2H3,(H,10,12)/t7-,8-/m1/s1
InChIKeyKVBARUHPCPQYMW-HTQZYQBOSA-N
XLogP-0.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-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

cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 95157526
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976004
(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924338
N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
CID 24711673
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide
CID 38427278
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014
2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide
CID 115627883

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide (CID 94816215) is trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide is CCS(=O)(=O)NCCNC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is KVBARUHPCPQYMW-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-3-15(13,14)11-5-4-10-9(12)8-6-7(8)2/h7-8,11H,3-6H2,1-2H3,(H,10,12)/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 234.32 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94816215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).