2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride

C13H19ClN2OS — CID 119782892

IUPAC2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCC1(Sc2ccccc2)CC1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-14-9-12(16)15-10-13(7-8-13)17-11-5-3-2-4-6-11;/h2-6,14H,7-10H2,1H3,(H,15,16);1H
InChIKeyKTLOTJAERYFNOY-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.07
Rot. Bonds6

About 2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride

2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride (PubChem CID 119782892) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
PubChem CID119782892
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCC1(Sc2ccccc2)CC1.Cl
InChIInChI=1S/C13H18N2OS.ClH/c1-14-9-12(16)15-10-13(7-8-13)17-11-5-3-2-4-6-11;/h2-6,14H,7-10H2,1H3,(H,15,16);1H
InChIKeyKTLOTJAERYFNOY-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119782643
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
CID 119344397
3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
CID 120610683
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
N-methyl-N'-[(4-phenylsulfanyloxan-4-yl)methyl]oxamide
CID 90604785
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119782926
N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119323172
N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119782670

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride (CID 119782892) is 2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride is CNCC(=O)NCC1(Sc2ccccc2)CC1.Cl.
What is the InChIKey of 2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride?
The InChIKey is KTLOTJAERYFNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS.ClH/c1-14-9-12(16)15-10-13(7-8-13)17-11-5-3-2-4-6-11;/h2-6,14H,7-10H2,1H3,(H,15,16);1H.
What are the key properties of 2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride?
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride has a molecular weight of 286.83 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119782892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).