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

C16H27ClN2OS — CID 119657249

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
SMILESCc1ccc(SCC(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-12(2)15(17)9-10-18(4)16(19)11-20-14-7-5-13(3)6-8-14;/h5-8,12,15H,9-11,17H2,1-4H3;1H
InChIKeyXFCMWYCRZOCKLY-UHFFFAOYSA-N
MW330.93 g/mol
LogP3.34
Rot. Bonds7

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

N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride (PubChem CID 119657249) has the molecular formula C16H27ClN2OS and a molecular weight of 330.93 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
PubChem CID119657249
Molecular FormulaC16H27ClN2OS
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
SMILESCc1ccc(SCC(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-12(2)15(17)9-10-18(4)16(19)11-20-14-7-5-13(3)6-8-14;/h5-8,12,15H,9-11,17H2,1-4H3;1H
InChIKeyXFCMWYCRZOCKLY-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 119660589
N-[2-(dimethylamino)ethyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 142825753
4-[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43240383
2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
CID 119660546
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
N-(3-hydroxybutyl)-2-(4-methoxyphenyl)sulfanyl-N-methylacetamide
CID 115691423
N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119659914
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119660207
N-(3-amino-4-methylpentyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methylpropanamide
CID 119659307

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride (CID 119657249) is N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride is Cc1ccc(SCC(=O)N(C)CCC(N)C(C)C)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
The InChIKey is XFCMWYCRZOCKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS.ClH/c1-12(2)15(17)9-10-18(4)16(19)11-20-14-7-5-13(3)6-8-14;/h5-8,12,15H,9-11,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride has a molecular weight of 330.93 g/mol, XLogP of 3.34, 7 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-(4-methylphenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119657249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).