N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride

C16H26ClN3O3S — CID 119627285

IUPACN-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-16(2,17)12-18-15(20)13-8-4-5-9-14(13)23(21,22)19-10-6-3-7-11-19;/h4-5,8-9H,3,6-7,10-12,17H2,1-2H3,(H,18,20);1H
InChIKeyKLPPNRSMKUEPKY-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.75
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride (PubChem CID 119627285) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
PubChem CID119627285
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-16(2,17)12-18-15(20)13-8-4-5-9-14(13)23(21,22)19-10-6-3-7-11-19;/h4-5,8-9H,3,6-7,10-12,17H2,1-2H3,(H,18,20);1H
InChIKeyKLPPNRSMKUEPKY-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
N-(2-amino-2-methylpropyl)-2-propan-2-ylsulfonylbenzamide;hydrochloride
CID 119629770
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33250445
N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33176179
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519
2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
CID 119223642

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride (CID 119627285) is N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride is CC(C)(N)CNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The InChIKey is KLPPNRSMKUEPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-16(2,17)12-18-15(20)13-8-4-5-9-14(13)23(21,22)19-10-6-3-7-11-19;/h4-5,8-9H,3,6-7,10-12,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119627285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).