1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride

C10H21ClN2O2S — CID 120714170

IUPAC1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
SMILESCS(=O)(=O)N1CCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C10H20N2O2S.ClH/c1-15(13,14)12-7-4-9(5-8-12)10-3-2-6-11-10;/h9-11H,2-8H2,1H3;1H
InChIKeyKQDLTGSBVCVKCH-UHFFFAOYSA-N
MW268.81 g/mol
LogP0.83
Rot. Bonds2

About 1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride

1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride (PubChem CID 120714170) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
PubChem CID120714170
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC Name1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
SMILESCS(=O)(=O)N1CCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C10H20N2O2S.ClH/c1-15(13,14)12-7-4-9(5-8-12)10-3-2-6-11-10;/h9-11H,2-8H2,1H3;1H
InChIKeyKQDLTGSBVCVKCH-UHFFFAOYSA-N
XLogP0.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine
CID 55232220
N-cyclohexyl-N-methyl-4-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 120714267
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714337
methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
CID 63259471
4-pyrrolidin-2-yl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine;hydrochloride
CID 120714269
1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714166
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine
CID 106727944
1-(2-bromo-4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714383
N-methyl-3-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 114810564
1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256904
2-cyclopentylpyrrolidine
CID 4031549

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The IUPAC name of 1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride (CID 120714170) is 1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride.
What is the SMILES notation for 1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The canonical SMILES for 1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride is CS(=O)(=O)N1CCC(C2CCCN2)CC1.Cl.
What is the InChIKey of 1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The InChIKey is KQDLTGSBVCVKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S.ClH/c1-15(13,14)12-7-4-9(5-8-12)10-3-2-6-11-10;/h9-11H,2-8H2,1H3;1H.
What are the key properties of 1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride has a molecular weight of 268.81 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride is sourced from PubChem (CID 120714170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).