1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide

C12H21N5O3S — CID 64547042

IUPAC1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCc2ncn[nH]2)CC1
InChIInChI=1S/C12H21N5O3S/c1-2-21(19,20)17-7-4-10(5-8-17)12(18)13-6-3-11-14-9-15-16-11/h9-10H,2-8H2,1H3,(H,13,18)(H,14,15,16)
InChIKeyIYGHFMNABSUSDH-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.47
Rot. Bonds6

About 1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 64547042) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID64547042
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCc2ncn[nH]2)CC1
InChIInChI=1S/C12H21N5O3S/c1-2-21(19,20)17-7-4-10(5-8-17)12(18)13-6-3-11-14-9-15-16-11/h9-10H,2-8H2,1H3,(H,13,18)(H,14,15,16)
InChIKeyIYGHFMNABSUSDH-UHFFFAOYSA-N
XLogP-0.47
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 71980106
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 64531607
1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64524307
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium
CID 3636219
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide
CID 114429118
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64532137
4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
CID 66259125
1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 64547804
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate
CID 60983708

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide (CID 64547042) is 1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCc2ncn[nH]2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is IYGHFMNABSUSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-2-21(19,20)17-7-4-10(5-8-17)12(18)13-6-3-11-14-9-15-16-11/h9-10H,2-8H2,1H3,(H,13,18)(H,14,15,16).
What are the key properties of 1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 64547042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).