trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide

C12H22N2O3S — CID 94657623

IUPACtrans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)NCCS(N)(=O)=O)C1(C)C
InChIInChI=1S/C12H22N2O3S/c1-8(2)7-9-10(12(9,3)4)11(15)14-5-6-18(13,16)17/h7,9-10H,5-6H2,1-4H3,(H,14,15)(H2,13,16,17)/t9-,10-/m1/s1
InChIKeyYKUGLSJZQLFQPJ-NXEZZACHSA-N
MW274.39 g/mol
LogP0.63
Rot. Bonds5

About trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide

trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide (PubChem CID 94657623) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
PubChem CID94657623
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Nametrans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)NCCS(N)(=O)=O)C1(C)C
InChIInChI=1S/C12H22N2O3S/c1-8(2)7-9-10(12(9,3)4)11(15)14-5-6-18(13,16)17/h7,9-10H,5-6H2,1-4H3,(H,14,15)(H2,13,16,17)/t9-,10-/m1/s1
InChIKeyYKUGLSJZQLFQPJ-NXEZZACHSA-N
XLogP0.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 94657626
cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94181241
cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94180392
tert-butyl N-[2-[[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]carbamate
CID 97022054
methyl 2-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]acetate
CID 94183727
cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 32561740
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 111433877
N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide
CID 60572075
trans-(1S,3R)-N-[(2S,4R)-4-hydroxy-2-methylpentyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100852278
trans-(1S,3R)-N-[(2R)-2-(dimethylamino)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100842702
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47014967
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24625156

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide (CID 94657623) is trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@H](C(=O)NCCS(N)(=O)=O)C1(C)C.
What is the InChIKey of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The InChIKey is YKUGLSJZQLFQPJ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-8(2)7-9-10(12(9,3)4)11(15)14-5-6-18(13,16)17/h7,9-10H,5-6H2,1-4H3,(H,14,15)(H2,13,16,17)/t9-,10-/m1/s1.
What are the key properties of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94657623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).