N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride

C15H25ClN2O3S — CID 119667537

IUPACN-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccccc1S(=O)(=O)CC.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-3-5-8-12(11-16)17-15(18)13-9-6-7-10-14(13)21(19,20)4-2;/h6-7,9-10,12H,3-5,8,11,16H2,1-2H3,(H,17,18);1H
InChIKeyHZTAYIGSBYQLHK-UHFFFAOYSA-N
MW348.90 g/mol
LogP2.15
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride

N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride (PubChem CID 119667537) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
PubChem CID119667537
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC NameN-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccccc1S(=O)(=O)CC.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-3-5-8-12(11-16)17-15(18)13-9-6-7-10-14(13)21(19,20)4-2;/h6-7,9-10,12H,3-5,8,11,16H2,1-2H3,(H,17,18);1H
InChIKeyHZTAYIGSBYQLHK-UHFFFAOYSA-N
XLogP2.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119665949
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
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CID 43393208
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
CID 119665027
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]propanoic acid
CID 54991408
N-(3-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119997396
N-(1-aminohexan-2-yl)-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119667886
N-(1-aminohexan-2-yl)-3-chloro-2-nitrobenzamide;hydrochloride
CID 119666314
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822726
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119665363

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride (CID 119667537) is N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccccc1S(=O)(=O)CC.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride?
The InChIKey is HZTAYIGSBYQLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S.ClH/c1-3-5-8-12(11-16)17-15(18)13-9-6-7-10-14(13)21(19,20)4-2;/h6-7,9-10,12H,3-5,8,11,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119667537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).