N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide

C10H20N4O2S — CID 123184234

IUPACN-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide
SMILESCC(Cc1ncn[nH]1)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H20N4O2S/c1-8(5-9-11-7-12-13-9)6-10(2,3)14-17(4,15)16/h7-8,14H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyVDPGDGSBQABYNR-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.70
Rot. Bonds6

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

N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide (PubChem CID 123184234) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide
PubChem CID123184234
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide
SMILESCC(Cc1ncn[nH]1)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H20N4O2S/c1-8(5-9-11-7-12-13-9)6-10(2,3)14-17(4,15)16/h7-8,14H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyVDPGDGSBQABYNR-UHFFFAOYSA-N
XLogP0.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide?
The IUPAC name of N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide (CID 123184234) is N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide is CC(Cc1ncn[nH]1)CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide?
The InChIKey is VDPGDGSBQABYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-8(5-9-11-7-12-13-9)6-10(2,3)14-17(4,15)16/h7-8,14H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide?
N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide is sourced from PubChem (CID 123184234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).