N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide

C14H20N2OS — CID 119798016

IUPACN-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Sc1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C14H20N2OS/c1-10(2)18-13-6-4-3-5-12(13)16-14(17)11-7-8-15-9-11/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyUOJUIOQRAFKYPL-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.74
Rot. Bonds4

About N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide

N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide (PubChem CID 119798016) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
PubChem CID119798016
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Sc1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C14H20N2OS/c1-10(2)18-13-6-4-3-5-12(13)16-14(17)11-7-8-15-9-11/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyUOJUIOQRAFKYPL-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119798015
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119691939
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide
CID 119319504
3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119797989
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide
CID 119759537
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43700489
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide (CID 119798016) is N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide is CC(C)Sc1ccccc1NC(=O)C1CCNC1.
What is the InChIKey of N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UOJUIOQRAFKYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)18-13-6-4-3-5-12(13)16-14(17)11-7-8-15-9-11/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide?
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119798016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).