N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C15H23ClN2O3S — CID 119790066

IUPACN-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOCCS(=O)Cc1cccc(NC(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-20-7-8-21(19)11-12-3-2-4-14(9-12)17-15(18)13-5-6-16-10-13;/h2-4,9,13,16H,5-8,10-11H2,1H3,(H,17,18);1H
InChIKeyJEEDBNDVSCOSKC-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.55
Rot. Bonds7

About N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119790066) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119790066
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOCCS(=O)Cc1cccc(NC(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-20-7-8-21(19)11-12-3-2-4-14(9-12)17-15(18)13-5-6-16-10-13;/h2-4,9,13,16H,5-8,10-11H2,1H3,(H,17,18);1H
InChIKeyJEEDBNDVSCOSKC-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119789972
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
N-[3-(tert-butylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327256
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119753972
methyl 2-[[3-(pyrrolidine-3-carbonylamino)phenyl]methylsulfanyl]acetate
CID 119775567
N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754328
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119327223
2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide
CID 119790069
N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754032
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119790066) is N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is COCCS(=O)Cc1cccc(NC(=O)C2CCNC2)c1.Cl.
What is the InChIKey of N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is JEEDBNDVSCOSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S.ClH/c1-20-7-8-21(19)11-12-3-2-4-14(9-12)17-15(18)13-5-6-16-10-13;/h2-4,9,13,16H,5-8,10-11H2,1H3,(H,17,18);1H.
What are the key properties of N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119790066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).