propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate

C13H26N2O5S — CID 114464254

IUPACpropan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
SMILESCCC1CCC(O)(CNS(=O)(=O)NC(=O)OC(C)C)CC1
InChIInChI=1S/C13H26N2O5S/c1-4-11-5-7-13(17,8-6-11)9-14-21(18,19)15-12(16)20-10(2)3/h10-11,14,17H,4-9H2,1-3H3,(H,15,16)
InChIKeyQMYBZEBBKQOOBH-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.29
Rot. Bonds6

About propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate

propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate (PubChem CID 114464254) has the molecular formula C13H26N2O5S and a molecular weight of 322.43 g/mol. Its IUPAC name is propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
PubChem CID114464254
Molecular FormulaC13H26N2O5S
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Namepropan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
SMILESCCC1CCC(O)(CNS(=O)(=O)NC(=O)OC(C)C)CC1
InChIInChI=1S/C13H26N2O5S/c1-4-11-5-7-13(17,8-6-11)9-14-21(18,19)15-12(16)20-10(2)3/h10-11,14,17H,4-9H2,1-3H3,(H,15,16)
InChIKeyQMYBZEBBKQOOBH-UHFFFAOYSA-N
XLogP1.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate
CID 114463344
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594392
1-[(tert-butylsulfamoylamino)methyl]-4-ethylcyclohexan-1-ol
CID 114809575
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-1-sulfonamide
CID 65121362
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide
CID 65121314
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 65121793
propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466827
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 65121313
propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate
CID 114761689
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate (CID 114464254) is propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate is CCC1CCC(O)(CNS(=O)(=O)NC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate?
The InChIKey is QMYBZEBBKQOOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S/c1-4-11-5-7-13(17,8-6-11)9-14-21(18,19)15-12(16)20-10(2)3/h10-11,14,17H,4-9H2,1-3H3,(H,15,16).
What are the key properties of propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate?
propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate has a molecular weight of 322.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate is sourced from PubChem (CID 114464254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).