1-(6-phenylsulfanylhexyl)pyrrolidine

C16H25NS — CID 11857934

IUPAC1-(6-phenylsulfanylhexyl)pyrrolidine
SMILESc1ccc(SCCCCCCN2CCCC2)cc1
InChIInChI=1S/C16H25NS/c1(6-12-17-13-7-8-14-17)2-9-15-18-16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15H2
InChIKeyYBUQNARBOHNSEO-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.43
Rot. Bonds8

About 1-(6-phenylsulfanylhexyl)pyrrolidine

1-(6-phenylsulfanylhexyl)pyrrolidine (PubChem CID 11857934) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-(6-phenylsulfanylhexyl)pyrrolidine.

Molecular Properties

Compound Name1-(6-phenylsulfanylhexyl)pyrrolidine
PubChem CID11857934
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-(6-phenylsulfanylhexyl)pyrrolidine
SMILESc1ccc(SCCCCCCN2CCCC2)cc1
InChIInChI=1S/C16H25NS/c1(6-12-17-13-7-8-14-17)2-9-15-18-16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15H2
InChIKeyYBUQNARBOHNSEO-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
4-(4-phenylsulfanylbutyl)morpholine
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1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
N-(2-phenylsulfanylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961115
1-ethyl-4-(4-phenylsulfanylbutyl)piperazine;oxalic acid
CID 2961167
(E)-1-phenyl-3-[4-(5-piperidin-1-ylpentylsulfanyl)phenyl]prop-2-en-1-one
CID 24874368
7-(4-phenylsulfanylbutyl)-2,7-diazaspiro[3.5]nonane
CID 170584124
4-methyl-1-(4-phenylsulfanylbutyl)piperidine-4-carboxylic acid
CID 175209892
4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine
CID 123799791
2-phenylsulfanyl-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39082370
1-(2-chloroethyl)-4-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223203
1-(6,6-diphenylhexyl)piperidine
CID 161365973

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylsulfanylhexyl)pyrrolidine?
The IUPAC name of 1-(6-phenylsulfanylhexyl)pyrrolidine (CID 11857934) is 1-(6-phenylsulfanylhexyl)pyrrolidine.
What is the SMILES notation for 1-(6-phenylsulfanylhexyl)pyrrolidine?
The canonical SMILES for 1-(6-phenylsulfanylhexyl)pyrrolidine is c1ccc(SCCCCCCN2CCCC2)cc1.
What is the InChIKey of 1-(6-phenylsulfanylhexyl)pyrrolidine?
The InChIKey is YBUQNARBOHNSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1(6-12-17-13-7-8-14-17)2-9-15-18-16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15H2.
What are the key properties of 1-(6-phenylsulfanylhexyl)pyrrolidine?
1-(6-phenylsulfanylhexyl)pyrrolidine has a molecular weight of 263.45 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylsulfanylhexyl)pyrrolidine is sourced from PubChem (CID 11857934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).