propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate

C13H27N3O4S — CID 114461302

IUPACpropan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate
SMILESCCN(C1(CN)CCCCC1)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C13H27N3O4S/c1-4-16(13(10-14)8-6-5-7-9-13)21(18,19)15-12(17)20-11(2)3/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyXCJKQCBROFYMBG-UHFFFAOYSA-N
MW321.44 g/mol
LogP1.35
Rot. Bonds6

About propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate

propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate (PubChem CID 114461302) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate
PubChem CID114461302
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Namepropan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate
SMILESCCN(C1(CN)CCCCC1)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C13H27N3O4S/c1-4-16(13(10-14)8-6-5-7-9-13)21(18,19)15-12(17)20-11(2)3/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyXCJKQCBROFYMBG-UHFFFAOYSA-N
XLogP1.35
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[1-[(methoxycarbonylamino)methyl]cyclohexyl]-N-methylcarbamate
CID 141566687
tert-butyl N-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]carbamate
CID 53548218
propan-2-yl N-[1-(aminomethyl)cyclohexyl]-N-ethylcarbamate
CID 64419579
propan-2-yl N-[1-(aminomethyl)cyclohexyl]-N-propylcarbamate
CID 64420811
propan-2-yl N-[2-(aminomethyl)-4-ethylpiperidin-1-yl]sulfonylcarbamate
CID 103352824
propan-2-yl N-[2-(aminomethyl)-4-methylpiperidin-1-yl]sulfonylcarbamate
CID 103441565
propan-2-yl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate
CID 114461108
ethyl N-[[1-(aminomethyl)cyclohexyl]sulfamoyl]carbamate
CID 114461109
propan-2-yl N-[[1-(aminomethyl)-4-methylcyclohexyl]sulfamoyl]carbamate
CID 114461120
propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
CID 114461299
ethyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
CID 114461300
methyl N-[[1-(aminomethyl)cyclohexyl]-methylsulfamoyl]carbamate
CID 114461301

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate (CID 114461302) is propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate is CCN(C1(CN)CCCCC1)S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate?
The InChIKey is XCJKQCBROFYMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-4-16(13(10-14)8-6-5-7-9-13)21(18,19)15-12(17)20-11(2)3/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate?
propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate has a molecular weight of 321.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[1-(aminomethyl)cyclohexyl]-ethylsulfamoyl]carbamate is sourced from PubChem (CID 114461302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).