1-(4-chlorophenyl)sulfinylpiperidine

C11H14ClNOS — CID 139632028

IUPAC1-(4-chlorophenyl)sulfinylpiperidine
SMILESO=S(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C11H14ClNOS/c12-10-4-6-11(7-5-10)15(14)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2
InChIKeyIDCXVUSVSFDORU-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.85
Rot. Bonds2

About 1-(4-chlorophenyl)sulfinylpiperidine

1-(4-chlorophenyl)sulfinylpiperidine (PubChem CID 139632028) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfinylpiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfinylpiperidine
PubChem CID139632028
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-(4-chlorophenyl)sulfinylpiperidine
SMILESO=S(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C11H14ClNOS/c12-10-4-6-11(7-5-10)15(14)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2
InChIKeyIDCXVUSVSFDORU-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(4-methylphenyl)sulfinylpiperidine
CID 178050291
1-(4-chlorophenyl)sulfinyl-3-fluoropiperidine
CID 68782012
N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
CID 164863600
[5-(4-chlorophenyl)sulfinylthiadiazol-4-yl]-piperidin-1-ylmethanone
CID 1486986
4-(4-methylsulfanylphenyl)sulfinylmorpholine
CID 132571734
ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol
CID 156877679
1-(benzenesulfinylsulfinyl)-4-chlorobenzene
CID 57199201
4-(1,4-diazepan-1-ylsulfinyl)-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfinamide
CID 164863587
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815
(4-chlorophenyl)-piperidin-1-ylmethanethione
CID 617434
1-(3-chlorophenyl)azonane
CID 145391535
4-chloro-N-methylbenzenesulfinamide
CID 143373382

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfinylpiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfinylpiperidine (CID 139632028) is 1-(4-chlorophenyl)sulfinylpiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfinylpiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfinylpiperidine is O=S(c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfinylpiperidine?
The InChIKey is IDCXVUSVSFDORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-4-6-11(7-5-10)15(14)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2.
What are the key properties of 1-(4-chlorophenyl)sulfinylpiperidine?
1-(4-chlorophenyl)sulfinylpiperidine has a molecular weight of 243.76 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfinylpiperidine is sourced from PubChem (CID 139632028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).