1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide

C14H26N4O2S — CID 121177022

IUPAC1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide
SMILESCC(C)C(Cn1nccn1)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H26N4O2S/c1-12(2)14(10-18-15-8-9-16-18)17-21(19,20)11-13-6-4-3-5-7-13/h8-9,12-14,17H,3-7,10-11H2,1-2H3
InChIKeyRQMVRJHGGOZPKS-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.80
Rot. Bonds7

About 1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide

1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide (PubChem CID 121177022) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide
PubChem CID121177022
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide
SMILESCC(C)C(Cn1nccn1)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H26N4O2S/c1-12(2)14(10-18-15-8-9-16-18)17-21(19,20)11-13-6-4-3-5-7-13/h8-9,12-14,17H,3-7,10-11H2,1-2H3
InChIKeyRQMVRJHGGOZPKS-UHFFFAOYSA-N
XLogP1.80
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide (CID 121177022) is 1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide is CC(C)C(Cn1nccn1)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide?
The InChIKey is RQMVRJHGGOZPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-12(2)14(10-18-15-8-9-16-18)17-21(19,20)11-13-6-4-3-5-7-13/h8-9,12-14,17H,3-7,10-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide?
1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]methanesulfonamide is sourced from PubChem (CID 121177022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).