2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C17H27ClN2OS — CID 119530341

IUPAC2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)SCc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-3-11-19(16-9-10-18-12-16)17(20)14(2)21-13-15-7-5-4-6-8-15;/h4-8,14,16,18H,3,9-13H2,1-2H3;1H
InChIKeyORONPDUWENGPDH-UHFFFAOYSA-N
MW342.94 g/mol
LogP3.33
Rot. Bonds7

About 2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119530341) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119530341
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC Name2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)SCc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-3-11-19(16-9-10-18-12-16)17(20)14(2)21-13-15-7-5-4-6-8-15;/h4-8,14,16,18H,3,9-13H2,1-2H3;1H
InChIKeyORONPDUWENGPDH-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530953
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530954
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
2-(4-methoxyphenyl)sulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529909
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 137163145
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530332
2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521
2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119826199

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119530341) is 2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CCCN(C(=O)C(C)SCc1ccccc1)C1CCNC1.Cl.
What is the InChIKey of 2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is ORONPDUWENGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS.ClH/c1-3-11-19(16-9-10-18-12-16)17(20)14(2)21-13-15-7-5-4-6-8-15;/h4-8,14,16,18H,3,9-13H2,1-2H3;1H.
What are the key properties of 2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 342.94 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119530341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).