2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C15H23ClN2O2S — CID 119550046

IUPAC2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCOc1ccc(SC(C)C(=O)N(C)C2CCNC2)cc1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-11(15(18)17(2)12-8-9-16-10-12)20-14-6-4-13(19-3)5-7-14;/h4-7,11-12,16H,8-10H2,1-3H3;1H
InChIKeyRWWBCTFRSXZNRV-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.42
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119550046) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119550046
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCOc1ccc(SC(C)C(=O)N(C)C2CCNC2)cc1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-11(15(18)17(2)12-8-9-16-10-12)20-14-6-4-13(19-3)5-7-14;/h4-7,11-12,16H,8-10H2,1-3H3;1H
InChIKeyRWWBCTFRSXZNRV-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 119552617
2-(4-methoxyphenyl)sulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529909
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119554487
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
4-methoxy-N-[3-methyl-1-[methyl(pyrrolidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 119551898
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554555
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119554556
2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470085

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119550046) is 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is COc1ccc(SC(C)C(=O)N(C)C2CCNC2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is RWWBCTFRSXZNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-11(15(18)17(2)12-8-9-16-10-12)20-14-6-4-13(19-3)5-7-14;/h4-7,11-12,16H,8-10H2,1-3H3;1H.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119550046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).