1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide

C16H22N6O3S — CID 70726482

IUPAC1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)nn1
InChIInChI=1S/C16H22N6O3S/c17-8-11-21-12-15(19-20-21)16(23)18-13-6-9-22(10-7-13)26(24,25)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2,(H,18,23)
InChIKeyFBVNDNHQBSPFFT-UHFFFAOYSA-N
MW378.46 g/mol
LogP-0.18
Rot. Bonds6

About 1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 70726482) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID70726482
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)nn1
InChIInChI=1S/C16H22N6O3S/c17-8-11-21-12-15(19-20-21)16(23)18-13-6-9-22(10-7-13)26(24,25)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2,(H,18,23)
InChIKeyFBVNDNHQBSPFFT-UHFFFAOYSA-N
XLogP-0.18
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74238790
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
[4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 31769999
1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide
CID 83235479
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
1-(2-aminoethyl)-N-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)triazole-4-carboxamide
CID 138032547
1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
CID 25295269
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride
CID 119945720
2-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119121072
N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26358981

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide (CID 70726482) is 1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide is NCCn1cc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is FBVNDNHQBSPFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c17-8-11-21-12-15(19-20-21)16(23)18-13-6-9-22(10-7-13)26(24,25)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2,(H,18,23).
What are the key properties of 1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[1-(benzenesulfonyl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 70726482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).