N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide

C11H21N5O2S — CID 55037973

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCNCC1)c1nncn1C
InChIInChI=1S/C11H21N5O2S/c1-9(11-14-13-8-16(11)2)15-19(17,18)7-10-3-5-12-6-4-10/h8-10,12,15H,3-7H2,1-2H3
InChIKeySTTXRTHOKHCCRC-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.20
Rot. Bonds5

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide (PubChem CID 55037973) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
PubChem CID55037973
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCNCC1)c1nncn1C
InChIInChI=1S/C11H21N5O2S/c1-9(11-14-13-8-16(11)2)15-19(17,18)7-10-3-5-12-6-4-10/h8-10,12,15H,3-7H2,1-2H3
InChIKeySTTXRTHOKHCCRC-UHFFFAOYSA-N
XLogP-0.20
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide (CID 55037973) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide is CC(NS(=O)(=O)CC1CCNCC1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is STTXRTHOKHCCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9(11-14-13-8-16(11)2)15-19(17,18)7-10-3-5-12-6-4-10/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 55037973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).