1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide

C11H20N4O2S — CID 103885456

IUPAC1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCCCC1)c1ncn[nH]1
InChIInChI=1S/C11H20N4O2S/c1-9(11-12-8-13-14-11)15-18(16,17)7-10-5-3-2-4-6-10/h8-10,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyXNRZRGFTENYASN-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.37
Rot. Bonds5

About 1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide

1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide (PubChem CID 103885456) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
PubChem CID103885456
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCCCC1)c1ncn[nH]1
InChIInChI=1S/C11H20N4O2S/c1-9(11-12-8-13-14-11)15-18(16,17)7-10-5-3-2-4-6-10/h8-10,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyXNRZRGFTENYASN-UHFFFAOYSA-N
XLogP1.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114207826
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
3-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 103885469
3-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 106283726
1,1-dioxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiane-4-sulfonamide
CID 103943224
1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 95733790
1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide
CID 95733842
1-cyclopentyl-N-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]methanesulfonamide
CID 125447729
methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate
CID 103943303
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
CID 106281859

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide (CID 103885456) is 1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide is CC(NS(=O)(=O)CC1CCCCC1)c1ncn[nH]1.
What is the InChIKey of 1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is XNRZRGFTENYASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(11-12-8-13-14-11)15-18(16,17)7-10-5-3-2-4-6-10/h8-10,15H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide?
1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 103885456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).