N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide

C14H22N2O3S — CID 119665949

IUPACN-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
SMILESCCCCC(CN)NC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-3-4-7-11(10-15)16-14(17)12-8-5-6-9-13(12)20(2,18)19/h5-6,8-9,11H,3-4,7,10,15H2,1-2H3,(H,16,17)
InChIKeyALMORSOOFABSFS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.34
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide

N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide (PubChem CID 119665949) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
PubChem CID119665949
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
SMILESCCCCC(CN)NC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-3-4-7-11(10-15)16-14(17)12-8-5-6-9-13(12)20(2,18)19/h5-6,8-9,11H,3-4,7,10,15H2,1-2H3,(H,16,17)
InChIKeyALMORSOOFABSFS-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methylsulfonyl-N-pentan-3-ylbenzamide
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N-(1-aminohexan-2-yl)-2-benzylbenzamide
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N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
CID 119665027
N-(1-aminohexan-2-yl)-3-methyl-2-nitrobenzamide
CID 80696935
N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride
CID 119665057
N-(1-aminopentan-2-yl)naphthalene-1-carboxamide
CID 65191426
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
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CID 119667168

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide (CID 119665949) is N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide is CCCCC(CN)NC(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide?
The InChIKey is ALMORSOOFABSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-4-7-11(10-15)16-14(17)12-8-5-6-9-13(12)20(2,18)19/h5-6,8-9,11H,3-4,7,10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide?
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.34, 7 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-methylsulfonylbenzamide is sourced from PubChem (CID 119665949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).