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

C14H21ClN2OS — CID 119798015

IUPACN-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)Sc1ccccc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C14H20N2OS.ClH/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);1H
InChIKeyLAQYADNCPQTQEN-UHFFFAOYSA-N
MW300.86 g/mol
LogP3.16
Rot. Bonds4

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

N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119798015) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119798015
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC NameN-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)Sc1ccccc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C14H20N2OS.ClH/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);1H
InChIKeyLAQYADNCPQTQEN-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119798016
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
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-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
3-amino-N-(2-propan-2-ylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119797989
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide
CID 119319504
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide
CID 119759537
N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43700489

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119798015) is N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride is CC(C)Sc1ccccc1NC(=O)C1CCNC1.Cl.
What is the InChIKey of N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is LAQYADNCPQTQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/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);1H.
What are the key properties of N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 3.16, 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;hydrochloride is sourced from PubChem (CID 119798015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).