N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride

C14H21ClN2O3S — CID 120947870

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
SMILESCOc1ccc(SCC(=O)NCC2CNCC2O)cc1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-19-11-2-4-12(5-3-11)20-9-14(18)16-7-10-6-15-8-13(10)17;/h2-5,10,13,15,17H,6-9H2,1H3,(H,16,18);1H
InChIKeyUXXMBKILNDSCLL-UHFFFAOYSA-N
MW332.85 g/mol
LogP0.91
Rot. Bonds6

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride (PubChem CID 120947870) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
PubChem CID120947870
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
SMILESCOc1ccc(SCC(=O)NCC2CNCC2O)cc1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-19-11-2-4-12(5-3-11)20-9-14(18)16-7-10-6-15-8-13(10)17;/h2-5,10,13,15,17H,6-9H2,1H3,(H,16,18);1H
InChIKeyUXXMBKILNDSCLL-UHFFFAOYSA-N
XLogP0.91
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514483
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
CID 120946976
3-(4-bromophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120946343
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55171211
2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945499
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 120887299
2-(2,6-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943517
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 120947049
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride
CID 120945808
N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 17472289
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride (CID 120947870) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride is COc1ccc(SCC(=O)NCC2CNCC2O)cc1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride?
The InChIKey is UXXMBKILNDSCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-19-11-2-4-12(5-3-11)20-9-14(18)16-7-10-6-15-8-13(10)17;/h2-5,10,13,15,17H,6-9H2,1H3,(H,16,18);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 120947870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).