2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride

C18H29ClN2OS — CID 119820132

IUPAC2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC1(Sc2ccc(C)cc2)CCCC1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-14-6-8-16(9-7-14)22-18(10-4-5-11-18)13-20-17(21)15(2)12-19-3;/h6-9,15,19H,4-5,10-13H2,1-3H3,(H,20,21);1H
InChIKeyYHOOSOYQBNZSFV-UHFFFAOYSA-N
MW356.96 g/mol
LogP3.79
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride (PubChem CID 119820132) has the molecular formula C18H29ClN2OS and a molecular weight of 356.96 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride
PubChem CID119820132
Molecular FormulaC18H29ClN2OS
Molecular Weight356.96 g/mol
Exact Mass356.17
IUPAC Name2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC1(Sc2ccc(C)cc2)CCCC1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-14-6-8-16(9-7-14)22-18(10-4-5-11-18)13-20-17(21)15(2)12-19-3;/h6-9,15,19H,4-5,10-13H2,1-3H3,(H,20,21);1H
InChIKeyYHOOSOYQBNZSFV-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.96
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]butanamide
CID 120502289
2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
CID 119344397
4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119820136
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119820120
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide
CID 122146653
2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide
CID 120989523
N-[(1-hydroxycyclohexyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 131912764
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide
CID 119820121
N-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 103810906
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731221
1-(4-hydroxy-2-methylbutyl)-3-[(1-phenylsulfanylcyclopentyl)methyl]urea
CID 111506198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride (CID 119820132) is 2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride is CNCC(C)C(=O)NCC1(Sc2ccc(C)cc2)CCCC1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride?
The InChIKey is YHOOSOYQBNZSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS.ClH/c1-14-6-8-16(9-7-14)22-18(10-4-5-11-18)13-20-17(21)15(2)12-19-3;/h6-9,15,19H,4-5,10-13H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride has a molecular weight of 356.96 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119820132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).