propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate

C13H23N3O4S — CID 114463344

IUPACpropan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate
SMILESCCC1CCC(C#N)(NS(=O)(=O)NC(=O)OC(C)C)CC1
InChIInChI=1S/C13H23N3O4S/c1-4-11-5-7-13(9-14,8-6-11)16-21(18,19)15-12(17)20-10(2)3/h10-11,16H,4-8H2,1-3H3,(H,15,17)
InChIKeyJPHIFYWPKPPDID-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.82
Rot. Bonds5

About propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate

propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate (PubChem CID 114463344) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate
PubChem CID114463344
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Namepropan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate
SMILESCCC1CCC(C#N)(NS(=O)(=O)NC(=O)OC(C)C)CC1
InChIInChI=1S/C13H23N3O4S/c1-4-11-5-7-13(9-14,8-6-11)16-21(18,19)15-12(17)20-10(2)3/h10-11,16H,4-8H2,1-3H3,(H,15,17)
InChIKeyJPHIFYWPKPPDID-UHFFFAOYSA-N
XLogP1.82
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
CID 114464254
N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide
CID 61125083
1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide
CID 61121906
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
CID 62589490
propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate
CID 106301452
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate (CID 114463344) is propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate is CCC1CCC(C#N)(NS(=O)(=O)NC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate?
The InChIKey is JPHIFYWPKPPDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-4-11-5-7-13(9-14,8-6-11)16-21(18,19)15-12(17)20-10(2)3/h10-11,16H,4-8H2,1-3H3,(H,15,17).
What are the key properties of propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate?
propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate has a molecular weight of 317.41 g/mol, XLogP of 1.82, 5 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-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).