N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride

C14H20BrClN2OS — CID 119322845

IUPACN-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCCN1)Sc1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2OS.ClH/c1-10(19-12-6-4-11(15)5-7-12)9-17-14(18)13-3-2-8-16-13;/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18);1H
InChIKeyGPQBAKBHGWBRNK-UHFFFAOYSA-N
MW379.75 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride

N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119322845) has the molecular formula C14H20BrClN2OS and a molecular weight of 379.75 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119322845
Molecular FormulaC14H20BrClN2OS
Molecular Weight379.75 g/mol
Exact Mass378.02
IUPAC NameN-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCCN1)Sc1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2OS.ClH/c1-10(19-12-6-4-11(15)5-7-12)9-17-14(18)13-3-2-8-16-13;/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18);1H
InChIKeyGPQBAKBHGWBRNK-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.75
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119335474
N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119335458
N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119322831
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391
2-[2-(4-bromophenyl)sulfanylpropylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184859
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 115159331
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
N-[2-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119330379
N-[2-[(4-bromobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 119299525
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119322845) is N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride is CC(CNC(=O)C1CCCN1)Sc1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GPQBAKBHGWBRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS.ClH/c1-10(19-12-6-4-11(15)5-7-12)9-17-14(18)13-3-2-8-16-13;/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 379.75 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119322845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).