N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride

C15H25ClN2OS — CID 119586311

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
SMILESCc1ccccc1SCC(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-11(2)8-13(9-16)17-15(18)10-19-14-7-5-4-6-12(14)3;/h4-7,11,13H,8-10,16H2,1-3H3,(H,17,18);1H
InChIKeyVCNVZNMNAVHHBL-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.00
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride (PubChem CID 119586311) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
PubChem CID119586311
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
SMILESCc1ccccc1SCC(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-11(2)8-13(9-16)17-15(18)10-19-14-7-5-4-6-12(14)3;/h4-7,11,13H,8-10,16H2,1-3H3,(H,17,18);1H
InChIKeyVCNVZNMNAVHHBL-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 93032378
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
N-(1-amino-4-methylpentan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119588609
N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 119995100
N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119585603
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9218856
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 120507413
5-[[2-(2-methylphenyl)sulfanylacetyl]amino]hexanoic acid
CID 82854309
N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119587577
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119586595
N-(1-aminopropan-2-yl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119582322

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride (CID 119586311) is N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride is Cc1ccccc1SCC(=O)NC(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride?
The InChIKey is VCNVZNMNAVHHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-11(2)8-13(9-16)17-15(18)10-19-14-7-5-4-6-12(14)3;/h4-7,11,13H,8-10,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119586311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).