2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride

C17H32ClN3O2S — CID 120806844

IUPAC2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CSCC(=O)N1CCC(C)(CN)C1)C1CCCCC1.Cl
InChIInChI=1S/C17H31N3O2S.ClH/c1-17(12-18)8-9-20(13-17)16(22)11-23-10-15(21)19(2)14-6-4-3-5-7-14;/h14H,3-13,18H2,1-2H3;1H
InChIKeyCMTRNWQRTVMNFM-UHFFFAOYSA-N
MW377.98 g/mol
LogP2.13
Rot. Bonds6

About 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride

2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride (PubChem CID 120806844) has the molecular formula C17H32ClN3O2S and a molecular weight of 377.98 g/mol. Its IUPAC name is 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride
PubChem CID120806844
Molecular FormulaC17H32ClN3O2S
Molecular Weight377.98 g/mol
Exact Mass377.19
IUPAC Name2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CSCC(=O)N1CCC(C)(CN)C1)C1CCCCC1.Cl
InChIInChI=1S/C17H31N3O2S.ClH/c1-17(12-18)8-9-20(13-17)16(22)11-23-10-15(21)19(2)14-6-4-3-5-7-14;/h14H,3-13,18H2,1-2H3;1H
InChIKeyCMTRNWQRTVMNFM-UHFFFAOYSA-N
XLogP2.13
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.98
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120805178
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-cyclopentylbutan-1-one;hydrochloride
CID 120805428
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 120805665
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3-methylbutylsulfanyl)ethanone
CID 120806521
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride
CID 120805402
N-cyclohexyl-2-[2-[3-(hydroxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 136553878
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 120804072
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cycloheptyloxypropan-1-one;hydrochloride
CID 120809038
2-[1-(aminomethyl)cyclohexyl]-N-cyclopentyl-N-methylacetamide
CID 113440139
1-[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-oxohexyl]-3-cyclohexylurea;hydrochloride
CID 120804646
2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120807684

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride (CID 120806844) is 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride is CN(C(=O)CSCC(=O)N1CCC(C)(CN)C1)C1CCCCC1.Cl.
What is the InChIKey of 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride?
The InChIKey is CMTRNWQRTVMNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S.ClH/c1-17(12-18)8-9-20(13-17)16(22)11-23-10-15(21)19(2)14-6-4-3-5-7-14;/h14H,3-13,18H2,1-2H3;1H.
What are the key properties of 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride?
2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride has a molecular weight of 377.98 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 120806844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).