N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide

C11H20N4O2S — CID 64531690

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCCc1ncn[nH]1)C1CCCCC1
InChIInChI=1S/C11H20N4O2S/c16-18(17,10-5-2-1-3-6-10)14-8-4-7-11-12-9-13-15-11/h9-10,14H,1-8H2,(H,12,13,15)
InChIKeyUZYYNBJIZOYXRH-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.99
Rot. Bonds6

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide

N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide (PubChem CID 64531690) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide
PubChem CID64531690
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCCc1ncn[nH]1)C1CCCCC1
InChIInChI=1S/C11H20N4O2S/c16-18(17,10-5-2-1-3-6-10)14-8-4-7-11-12-9-13-15-11/h9-10,14H,1-8H2,(H,12,13,15)
InChIKeyUZYYNBJIZOYXRH-UHFFFAOYSA-N
XLogP0.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxane-4-sulfonamide
CID 64531284
2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 64531405
1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64531586
1-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64523562
2-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 79579379
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
CID 64545973
1-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-2-sulfonamide
CID 106068114
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]azepane-2-carboxylic acid
CID 64561967
5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 64517232
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 64530904
3-(propylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-1-sulfonamide
CID 106068101

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide (CID 64531690) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide is O=S(=O)(NCCCc1ncn[nH]1)C1CCCCC1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide?
The InChIKey is UZYYNBJIZOYXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c16-18(17,10-5-2-1-3-6-10)14-8-4-7-11-12-9-13-15-11/h9-10,14H,1-8H2,(H,12,13,15).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide is sourced from PubChem (CID 64531690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).