N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide

C14H22N4O4S2 — CID 119482039

IUPACN-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C14H22N4O4S2/c1-16-24(21,22)11-7-12(23-9-11)14(20)18-6-2-3-10(8-18)13(19)17-5-4-15/h7,9-10,16H,2-6,8,15H2,1H3,(H,17,19)
InChIKeyYAERGDVSLCLUOP-UHFFFAOYSA-N
MW374.49 g/mol
LogP-0.42
Rot. Bonds6

About N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide (PubChem CID 119482039) has the molecular formula C14H22N4O4S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide
PubChem CID119482039
Molecular FormulaC14H22N4O4S2
Molecular Weight374.49 g/mol
Exact Mass374.11
IUPAC NameN-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCCC(C(=O)NCCN)C2)c1
InChIInChI=1S/C14H22N4O4S2/c1-16-24(21,22)11-7-12(23-9-11)14(20)18-6-2-3-10(8-18)13(19)17-5-4-15/h7,9-10,16H,2-6,8,15H2,1H3,(H,17,19)
InChIKeyYAERGDVSLCLUOP-UHFFFAOYSA-N
XLogP-0.42
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid
CID 120514157
N-(2-aminoethyl)-1-(4-methoxythiophene-2-carbonyl)piperidine-3-carboxamide
CID 81121460
methyl 4-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 119971268
N-(2-aminoethyl)-1-(5-chlorothiophene-2-carbonyl)piperidine-3-carboxamide
CID 63251929
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 124595434
N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479664
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 63252612
N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide
CID 119480250
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482336
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
CID 119480903
N-(2-aminoethyl)-1-[4-(cyclopropylsulfamoyl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481027

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide (CID 119482039) is N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide is CNS(=O)(=O)c1csc(C(=O)N2CCCC(C(=O)NCCN)C2)c1.
What is the InChIKey of N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is YAERGDVSLCLUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S2/c1-16-24(21,22)11-7-12(23-9-11)14(20)18-6-2-3-10(8-18)13(19)17-5-4-15/h7,9-10,16H,2-6,8,15H2,1H3,(H,17,19).
What are the key properties of N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119482039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).