N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride

C14H23ClN2O2S — CID 119625878

IUPACN-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
SMILESCOc1ccc(SC(C)C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-10(13(17)16-9-14(2,3)15)19-12-7-5-11(18-4)6-8-12;/h5-8,10H,9,15H2,1-4H3,(H,16,17);1H
InChIKeyOHBCRHYGZZWXAF-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.45
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride (PubChem CID 119625878) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
PubChem CID119625878
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
SMILESCOc1ccc(SC(C)C(=O)NCC(C)(C)N)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-10(13(17)16-9-14(2,3)15)19-12-7-5-11(18-4)6-8-12;/h5-8,10H,9,15H2,1-4H3,(H,16,17);1H
InChIKeyOHBCRHYGZZWXAF-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
ethyl 3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoate
CID 51093901
ethyl 3-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]propanoate
CID 94809358
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119527437
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride (CID 119625878) is N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride is COc1ccc(SC(C)C(=O)NCC(C)(C)N)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride?
The InChIKey is OHBCRHYGZZWXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-10(13(17)16-9-14(2,3)15)19-12-7-5-11(18-4)6-8-12;/h5-8,10H,9,15H2,1-4H3,(H,16,17);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119625878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).