N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide

C14H20N2OS — CID 119315477

IUPACN-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCSCCc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C14H20N2OS/c1-18-10-8-11-4-6-12(7-5-11)16-14(17)13-3-2-9-15-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyHVOSBZKBMBYZCO-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.28
Rot. Bonds5

About N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide

N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119315477) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119315477
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCSCCc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C14H20N2OS/c1-18-10-8-11-4-6-12(7-5-11)16-14(17)13-3-2-9-15-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyHVOSBZKBMBYZCO-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide
CID 119328480
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide (CID 119315477) is N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide is CSCCc1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is HVOSBZKBMBYZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-10-8-11-4-6-12(7-5-11)16-14(17)13-3-2-9-15-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,16,17).
What are the key properties of N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide?
N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119315477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).