N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide

C13H25N5O3S — CID 122562017

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCC(OC)CC1)c1ncnn1CC
InChIInChI=1S/C13H25N5O3S/c1-4-12(13-14-10-15-18(13)5-2)16-22(19,20)17-8-6-11(21-3)7-9-17/h10-12,16H,4-9H2,1-3H3
InChIKeyNLFHMNOKLRKCNQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP0.69
Rot. Bonds7

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide (PubChem CID 122562017) has the molecular formula C13H25N5O3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide
PubChem CID122562017
Molecular FormulaC13H25N5O3S
Molecular Weight331.44 g/mol
Exact Mass331.17
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCC(OC)CC1)c1ncnn1CC
InChIInChI=1S/C13H25N5O3S/c1-4-12(13-14-10-15-18(13)5-2)16-22(19,20)17-8-6-11(21-3)7-9-17/h10-12,16H,4-9H2,1-3H3
InChIKeyNLFHMNOKLRKCNQ-UHFFFAOYSA-N
XLogP0.69
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide (CID 122562017) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide is CCC(NS(=O)(=O)N1CCC(OC)CC1)c1ncnn1CC.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide?
The InChIKey is NLFHMNOKLRKCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3S/c1-4-12(13-14-10-15-18(13)5-2)16-22(19,20)17-8-6-11(21-3)7-9-17/h10-12,16H,4-9H2,1-3H3.
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide is sourced from PubChem (CID 122562017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).