N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride

C15H25ClN2OS — CID 119658400

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
SMILESCSc1ccccc1C(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-11(2)13(16)9-10-17(3)15(18)12-7-5-6-8-14(12)19-4;/h5-8,11,13H,9-10,16H2,1-4H3;1H
InChIKeyMCKYFNCFGVZFQM-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.28
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride (PubChem CID 119658400) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
PubChem CID119658400
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
SMILESCSc1ccccc1C(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-11(2)13(16)9-10-17(3)15(18)12-7-5-6-8-14(12)19-4;/h5-8,11,13H,9-10,16H2,1-4H3;1H
InChIKeyMCKYFNCFGVZFQM-UHFFFAOYSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 119657829
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 119659075
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
CID 119658549
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
CID 170898691
N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 119659056
N-(3-amino-4-methylpentyl)-N-methyl-5-methylsulfanylfuran-2-carboxamide;hydrochloride
CID 119658758

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride (CID 119658400) is N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride is CSc1ccccc1C(=O)N(C)CCC(N)C(C)C.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride?
The InChIKey is MCKYFNCFGVZFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-11(2)13(16)9-10-17(3)15(18)12-7-5-6-8-14(12)19-4;/h5-8,11,13H,9-10,16H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 119658400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).