N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride

C14H21ClN2OS — CID 119335474

IUPACN-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCCN1)Sc1ccccc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-11(18-12-6-3-2-4-7-12)10-16-14(17)13-8-5-9-15-13;/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17);1H
InChIKeyJZZJOBYCPPLBKR-UHFFFAOYSA-N
MW300.85 g/mol
LogP2.46
Rot. Bonds5

About N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride

N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119335474) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119335474
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCCN1)Sc1ccccc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-11(18-12-6-3-2-4-7-12)10-16-14(17)13-8-5-9-15-13;/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17);1H
InChIKeyJZZJOBYCPPLBKR-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119335458
N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119322845
N-(2-phenylsulfanylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119804403
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119804444
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
N-(2-phenylsulfanylethyl)pyrrolidine-2-carboxamide
CID 60717864
(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119323178

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119335474) is N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride is CC(CNC(=O)C1CCCN1)Sc1ccccc1.Cl.
What is the InChIKey of N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JZZJOBYCPPLBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-11(18-12-6-3-2-4-7-12)10-16-14(17)13-8-5-9-15-13;/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17);1H.
What are the key properties of N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119335474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).