methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate

C14H28N2O4S — CID 120875523

IUPACmethyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1S(=O)(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H28N2O4S/c1-14(2,9-15)10-16(3)21(18,19)12-8-6-5-7-11(12)13(17)20-4/h11-12H,5-10,15H2,1-4H3
InChIKeyADEKNBZRPUSKRN-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.96
Rot. Bonds6

About methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate

methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate (PubChem CID 120875523) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate
PubChem CID120875523
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Namemethyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1S(=O)(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H28N2O4S/c1-14(2,9-15)10-16(3)21(18,19)12-8-6-5-7-11(12)13(17)20-4/h11-12H,5-10,15H2,1-4H3
InChIKeyADEKNBZRPUSKRN-UHFFFAOYSA-N
XLogP0.96
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343240
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342605
methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342175
cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 100602479
methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343312
methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103342854
methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343093
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate (CID 120875523) is methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1S(=O)(=O)N(C)CC(C)(C)CN.
What is the InChIKey of methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate?
The InChIKey is ADEKNBZRPUSKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-14(2,9-15)10-16(3)21(18,19)12-8-6-5-7-11(12)13(17)20-4/h11-12H,5-10,15H2,1-4H3.
What are the key properties of methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate?
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate has a molecular weight of 320.46 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 120875523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).