2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide

C14H26N2OS — CID 114123001

IUPAC2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC2CCCCC2SC)CCCN1
InChIInChI=1S/C14H26N2OS/c1-3-14(9-6-10-15-14)13(17)16-11-7-4-5-8-12(11)18-2/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyCKPAPZJLKWDODR-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.31
Rot. Bonds4

About 2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide

2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 114123001) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
PubChem CID114123001
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC2CCCCC2SC)CCCN1
InChIInChI=1S/C14H26N2OS/c1-3-14(9-6-10-15-14)13(17)16-11-7-4-5-8-12(11)18-2/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyCKPAPZJLKWDODR-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 83072401
N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071697
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83071541
2-ethyl-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 83071590
2-ethyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 83071438
3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 83072478
N-(2,6-dimethylpiperidin-1-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83074390
N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83071563
cyclopropyl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608291
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide
CID 114009242
2-ethyl-N-ethylsulfonylpyrrolidine-2-carboxamide
CID 103307069

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide (CID 114123001) is 2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide is CCC1(C(=O)NC2CCCCC2SC)CCCN1.
What is the InChIKey of 2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is CKPAPZJLKWDODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-3-14(9-6-10-15-14)13(17)16-11-7-4-5-8-12(11)18-2/h11-12,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 114123001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).