N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride

C15H25ClN2O2S — CID 119656300

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride
SMILESCOc1cccc(SCC(=O)N(C)CC(C)(C)CN)c1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-15(2,10-16)11-17(3)14(18)9-20-13-7-5-6-12(8-13)19-4;/h5-8H,9-11,16H2,1-4H3;1H
InChIKeyBZBBARNSOJGILN-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.65
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride (PubChem CID 119656300) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride
PubChem CID119656300
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride
SMILESCOc1cccc(SCC(=O)N(C)CC(C)(C)CN)c1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-15(2,10-16)11-17(3)14(18)9-20-13-7-5-6-12(8-13)19-4;/h5-8H,9-11,16H2,1-4H3;1H
InChIKeyBZBBARNSOJGILN-UHFFFAOYSA-N
XLogP2.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 97260253
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 90651685
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethoxyphenyl)-N-methylacetamide;hydrochloride
CID 119655363
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170
N-(3-amino-2,2-dimethylpropyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
CID 119653240
2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide
CID 131924399

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride (CID 119656300) is N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride is COc1cccc(SCC(=O)N(C)CC(C)(C)CN)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride?
The InChIKey is BZBBARNSOJGILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-15(2,10-16)11-17(3)14(18)9-20-13-7-5-6-12(8-13)19-4;/h5-8H,9-11,16H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119656300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).