2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C13H19ClN2O2S — CID 119453540

IUPAC2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCOc1cccc(SCC(=O)NC2CCNC2)c1.Cl
InChIInChI=1S/C13H18N2O2S.ClH/c1-17-11-3-2-4-12(7-11)18-9-13(16)15-10-5-6-14-8-10;/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,15,16);1H
InChIKeyBZIOLJQNCOEVRC-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.69
Rot. Bonds5

About 2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119453540) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119453540
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCOc1cccc(SCC(=O)NC2CCNC2)c1.Cl
InChIInChI=1S/C13H18N2O2S.ClH/c1-17-11-3-2-4-12(7-11)18-9-13(16)15-10-5-6-14-8-10;/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,15,16);1H
InChIKeyBZIOLJQNCOEVRC-UHFFFAOYSA-N
XLogP1.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119458861
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
N-(1-cyclopropylpyrrolidin-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 47937957
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451413
2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388
(2S)-N-cyclopropyl-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperazine-2-carboxamide
CID 95721031
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119427977
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 119604496
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119453540) is 2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride is COc1cccc(SCC(=O)NC2CCNC2)c1.Cl.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is BZIOLJQNCOEVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S.ClH/c1-17-11-3-2-4-12(7-11)18-9-13(16)15-10-5-6-14-8-10;/h2-4,7,10,14H,5-6,8-9H2,1H3,(H,15,16);1H.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 302.83 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119453540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).