propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate

C13H27N3O4S — CID 114461157

IUPACpropan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCCN)C1CCCCC1
InChIInChI=1S/C13H27N3O4S/c1-11(2)20-13(17)15-21(18,19)16(10-6-9-14)12-7-4-3-5-8-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyDMLFRCHGCPOSCC-UHFFFAOYSA-N
MW321.44 g/mol
LogP1.35
Rot. Bonds7

About propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate

propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate (PubChem CID 114461157) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate
PubChem CID114461157
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Namepropan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCCN)C1CCCCC1
InChIInChI=1S/C13H27N3O4S/c1-11(2)20-13(17)15-21(18,19)16(10-6-9-14)12-7-4-3-5-8-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyDMLFRCHGCPOSCC-UHFFFAOYSA-N
XLogP1.35
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161
propan-2-yl N-[cyclobutyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 102867663
propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate
CID 114464658
ethyl N-[2-chloroethyl(cyclopentyl)sulfamoyl]carbamate
CID 114466202
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
CID 43137019
ethyl N-[2-bromoethyl(cyclobutyl)sulfamoyl]carbamate
CID 102873518
[2-aminoethyl(methylsulfamoyl)amino]cyclohexane
CID 114812756
N-(3-aminopropyl)-N-cyclopentyl-2-methylpropane-2-sulfonamide
CID 63688955
2-[3-aminopropyl(cyclobutyl)amino]-N-propan-2-ylpropanamide
CID 102875071
N-(3-aminopropyl)-N-cycloheptyl-2-methylsulfonylethanesulfonamide
CID 63244806
[2-aminoethyl(propan-2-ylsulfamoyl)amino]cyclopropane
CID 114803735

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate (CID 114461157) is propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)N(CCCN)C1CCCCC1.
What is the InChIKey of propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate?
The InChIKey is DMLFRCHGCPOSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-11(2)20-13(17)15-21(18,19)16(10-6-9-14)12-7-4-3-5-8-12/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate?
propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate has a molecular weight of 321.44 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-aminopropyl(cyclohexyl)sulfamoyl]carbamate is sourced from PubChem (CID 114461157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).