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

C12H22N2O3S — CID 94657626

IUPACtrans-(1R,3S)-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-/m0/s1
InChIKeyYKUGLSJZQLFQPJ-UWVGGRQHSA-N
MW274.39 g/mol
LogP0.63
Rot. Bonds5

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

trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide (PubChem CID 94657626) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
PubChem CID94657626
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Nametrans-(1R,3S)-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-/m0/s1
InChIKeyYKUGLSJZQLFQPJ-UWVGGRQHSA-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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide (CID 94657626) is trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-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-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
The InChIKey is YKUGLSJZQLFQPJ-UWVGGRQHSA-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-/m0/s1.
What are the key properties of trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide?
trans-(1R,3S)-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-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94657626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).