4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide

C14H23N3O4S2 — CID 122565497

IUPAC4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C14H23N3O4S2/c1-15-23(20,21)10-6-16-14(19)17-7-4-11(5-8-17)13(18)12-3-2-9-22-12/h2-3,9,11,13,15,18H,4-8,10H2,1H3,(H,16,19)
InChIKeyDUXAQPMRCUMDIB-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.75
Rot. Bonds6

About 4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide

4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide (PubChem CID 122565497) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide
PubChem CID122565497
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC Name4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C14H23N3O4S2/c1-15-23(20,21)10-6-16-14(19)17-7-4-11(5-8-17)13(18)12-3-2-9-22-12/h2-3,9,11,13,15,18H,4-8,10H2,1H3,(H,16,19)
InChIKeyDUXAQPMRCUMDIB-UHFFFAOYSA-N
XLogP0.75
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide
CID 122556169
4-[hydroxy(thiophen-2-yl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 122563909
1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97062251
4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 111438385
[3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 119063986
4-[hydroxy(phenyl)methyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 111483064
1-[2-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 74233473
6-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 119061216
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 95209630
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-thiophen-2-ylmethanol
CID 131903485

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide (CID 122565497) is 4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide is CNS(=O)(=O)CCNC(=O)N1CCC(C(O)c2cccs2)CC1.
What is the InChIKey of 4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide?
The InChIKey is DUXAQPMRCUMDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2/c1-15-23(20,21)10-6-16-14(19)17-7-4-11(5-8-17)13(18)12-3-2-9-22-12/h2-3,9,11,13,15,18H,4-8,10H2,1H3,(H,16,19).
What are the key properties of 4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide?
4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 122565497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).