5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride

C16H25ClN2O4S — CID 119451061

IUPAC5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(OCCCCC(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-23(20,21)15-7-5-14(6-8-15)22-11-3-2-4-16(19)18-13-9-10-17-12-13;/h5-8,13,17H,2-4,9-12H2,1H3,(H,18,19);1H
InChIKeyCVPZZRQSIITIKW-UHFFFAOYSA-N
MW376.91 g/mol
LogP1.54
Rot. Bonds8

About 5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride

5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride (PubChem CID 119451061) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride.

Molecular Properties

Compound Name5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
PubChem CID119451061
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Name5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(OCCCCC(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-23(20,21)15-7-5-14(6-8-15)22-11-3-2-4-16(19)18-13-9-10-17-12-13;/h5-8,13,17H,2-4,9-12H2,1H3,(H,18,19);1H
InChIKeyCVPZZRQSIITIKW-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylbutanamide
CID 119454241
N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 119475958
5-(4-methylsulfonylphenoxy)-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119534985
N-(4-aminocyclohexyl)-5-(4-methylsulfonylphenoxy)pentanamide
CID 119475959
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
CID 119461425
5-(4-bromophenoxy)-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424621
N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 120575876
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119424890
3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450421

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The IUPAC name of 5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride (CID 119451061) is 5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride.
What is the SMILES notation for 5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The canonical SMILES for 5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride is CS(=O)(=O)c1ccc(OCCCCC(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride?
The InChIKey is CVPZZRQSIITIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S.ClH/c1-23(20,21)15-7-5-14(6-8-15)22-11-3-2-4-16(19)18-13-9-10-17-12-13;/h5-8,13,17H,2-4,9-12H2,1H3,(H,18,19);1H.
What are the key properties of 5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride?
5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride is sourced from PubChem (CID 119451061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).