N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide

C10H19N5O2S — CID 91843778

IUPACN-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(CCn2cncn2)CC1
InChIInChI=1S/C10H19N5O2S/c1-18(16,17)13-10-2-4-14(5-3-10)6-7-15-9-11-8-12-15/h8-10,13H,2-7H2,1H3
InChIKeyTUPKIRWDOFEXAL-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.71
Rot. Bonds5

About N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide

N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide (PubChem CID 91843778) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide
PubChem CID91843778
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(CCn2cncn2)CC1
InChIInChI=1S/C10H19N5O2S/c1-18(16,17)13-10-2-4-14(5-3-10)6-7-15-9-11-8-12-15/h8-10,13H,2-7H2,1H3
InChIKeyTUPKIRWDOFEXAL-UHFFFAOYSA-N
XLogP-0.71
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl}methanesulfonamide
CID 77093819
1-(methylsulfonyl)-4-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine
CID 91832410
N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]butane-1-sulfonamide
CID 95323158
1-(2-Methylsulfonylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 56802818
1-(1-Ethyl-1H-1,2,4-triazol-5-yl)piperidin-3-amine hydrochloride
CID 117763745
1-(1-Ethyl-1H-1,2,4-triazol-5-yl)piperidin-3-amine
CID 117763746
N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide
CID 47180738
1-(1-Methylsulfonylpiperidin-4-yl)-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 51084115
1-[2-(Dibutylsulfamoylamino)propyl]-1,2,4-triazole
CID 53513576
N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butane-1-sulfonamide
CID 53601229
3-[2-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
CID 56802729
1-(3-Methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 56802732

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide (CID 91843778) is N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(CCn2cncn2)CC1.
What is the InChIKey of N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is TUPKIRWDOFEXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-18(16,17)13-10-2-4-14(5-3-10)6-7-15-9-11-8-12-15/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide?
N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 91843778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).