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

C12H23N5O2S — CID 106303221

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C12H23N5O2S/c1-2-17-10-14-16-12(17)9-15-20(18,19)8-5-11-3-6-13-7-4-11/h10-11,13,15H,2-9H2,1H3
InChIKeyOAQRGRDTZFIBAP-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.11
Rot. Bonds7

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide (PubChem CID 106303221) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide
PubChem CID106303221
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C12H23N5O2S/c1-2-17-10-14-16-12(17)9-15-20(18,19)8-5-11-3-6-13-7-4-11/h10-11,13,15H,2-9H2,1H3
InChIKeyOAQRGRDTZFIBAP-UHFFFAOYSA-N
XLogP0.11
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide
CID 106303559
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 106303568
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 106303557
N-benzyl-2-piperidin-4-ylethanesulfonamide
CID 60890567
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 55038343
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 106304308
4-[(4-ethyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 63875830
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
CID 62691627
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 106304410
trans-(1R,2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylcyclopropane-1-sulfonamide
CID 126822945
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide (CID 106303221) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide is CCn1cnnc1CNS(=O)(=O)CCC1CCNCC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide?
The InChIKey is OAQRGRDTZFIBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-2-17-10-14-16-12(17)9-15-20(18,19)8-5-11-3-6-13-7-4-11/h10-11,13,15H,2-9H2,1H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 106303221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).