propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate

C8H15N5O4S — CID 114167984

IUPACpropan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C8H15N5O4S/c1-5(2)17-8(14)13-18(15,16)12-6(3)7-9-4-10-11-7/h4-6,12H,1-3H3,(H,13,14)(H,9,10,11)
InChIKeyHXVUZSQFXVYMSY-UHFFFAOYSA-N
MW277.31 g/mol
LogP-0.17
Rot. Bonds5

About propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate

propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate (PubChem CID 114167984) has the molecular formula C8H15N5O4S and a molecular weight of 277.31 g/mol. Its IUPAC name is propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate
PubChem CID114167984
Molecular FormulaC8H15N5O4S
Molecular Weight277.31 g/mol
Exact Mass277.08
IUPAC Namepropan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C8H15N5O4S/c1-5(2)17-8(14)13-18(15,16)12-6(3)7-9-4-10-11-7/h4-6,12H,1-3H3,(H,13,14)(H,9,10,11)
InChIKeyHXVUZSQFXVYMSY-UHFFFAOYSA-N
XLogP-0.17
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 106281568
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 113345805
methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate
CID 103943303
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
3-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 103885469
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
3-chloro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282499
4-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283902
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 103885456
ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 103943302
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate (CID 114167984) is propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate?
The InChIKey is HXVUZSQFXVYMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O4S/c1-5(2)17-8(14)13-18(15,16)12-6(3)7-9-4-10-11-7/h4-6,12H,1-3H3,(H,13,14)(H,9,10,11).
What are the key properties of propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate?
propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate has a molecular weight of 277.31 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]carbamate is sourced from PubChem (CID 114167984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).