1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

C10H18N4O2S — CID 54947631

IUPAC1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCc1ncn[nH]1
InChIInChI=1S/C10H18N4O2S/c15-17(16,7-9-4-2-1-3-5-9)13-6-10-11-8-12-14-10/h8-9,13H,1-7H2,(H,11,12,14)
InChIKeyHWOYDKSCPFEUTE-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.80
Rot. Bonds5

About 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (PubChem CID 54947631) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
PubChem CID54947631
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCc1ncn[nH]1
InChIInChI=1S/C10H18N4O2S/c15-17(16,7-9-4-2-1-3-5-9)13-6-10-11-8-12-14-10/h8-9,13H,1-7H2,(H,11,12,14)
InChIKeyHWOYDKSCPFEUTE-UHFFFAOYSA-N
XLogP0.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (CID 54947631) is 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is O=S(=O)(CC1CCCCC1)NCc1ncn[nH]1.
What is the InChIKey of 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The InChIKey is HWOYDKSCPFEUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c15-17(16,7-9-4-2-1-3-5-9)13-6-10-11-8-12-14-10/h8-9,13H,1-7H2,(H,11,12,14).
What are the key properties of 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 54947631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).