N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride

C16H26ClN3O3S — CID 119971281

IUPACN-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)c(C)c1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-12-5-6-15(13(2)10-12)23(21,22)19-9-3-4-14(11-19)16(20)18-8-7-17;/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3,(H,18,20);1H
InChIKeyIKTBKOXLLLPGPI-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.20
Rot. Bonds5

About N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119971281) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
PubChem CID119971281
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)c(C)c1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-12-5-6-15(13(2)10-12)23(21,22)19-9-3-4-14(11-19)16(20)18-8-7-17;/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3,(H,18,20);1H
InChIKeyIKTBKOXLLLPGPI-UHFFFAOYSA-N
XLogP1.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971282
N-(2-aminoethyl)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971498
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 94381355
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 133254996
1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 133254995
N-(2-aminoethyl)-1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 119971336
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
methyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]sulfonyl-4-fluorobenzoate;hydrochloride
CID 119971509

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride (CID 119971281) is N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)c(C)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is IKTBKOXLLLPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-12-5-6-15(13(2)10-12)23(21,22)19-9-3-4-14(11-19)16(20)18-8-7-17;/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119971281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).