N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide

C15H22N2OS — CID 119318058

IUPACN-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCSc1ccc(C(C)NC(=O)C2CCCN2)cc1
InChIInChI=1S/C15H22N2OS/c1-3-19-13-8-6-12(7-9-13)11(2)17-15(18)14-5-4-10-16-14/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyAKGQSBSYQGNESL-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.73
Rot. Bonds5

About N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide

N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119318058) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID119318058
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCSc1ccc(C(C)NC(=O)C2CCCN2)cc1
InChIInChI=1S/C15H22N2OS/c1-3-19-13-8-6-12(7-9-13)11(2)17-15(18)14-5-4-10-16-14/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyAKGQSBSYQGNESL-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-[(1R)-1-[4-(difluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175925248
N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 119318070
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60711733
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 119318058) is N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide is CCSc1ccc(C(C)NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is AKGQSBSYQGNESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-19-13-8-6-12(7-9-13)11(2)17-15(18)14-5-4-10-16-14/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide?
N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119318058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).