2-(cyclopropylsulfonylmethyl)piperidine

C9H17NO2S — CID 84671803

IUPAC2-(cyclopropylsulfonylmethyl)piperidine
SMILESO=S(=O)(CC1CCCCN1)C1CC1
InChIInChI=1S/C9H17NO2S/c11-13(12,9-4-5-9)7-8-3-1-2-6-10-8/h8-10H,1-7H2
InChIKeyYMQTZYRZBZVKHS-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.71
Rot. Bonds3

About 2-(cyclopropylsulfonylmethyl)piperidine

2-(cyclopropylsulfonylmethyl)piperidine (PubChem CID 84671803) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name2-(cyclopropylsulfonylmethyl)piperidine
PubChem CID84671803
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-(cyclopropylsulfonylmethyl)piperidine
SMILESO=S(=O)(CC1CCCCN1)C1CC1
InChIInChI=1S/C9H17NO2S/c11-13(12,9-4-5-9)7-8-3-1-2-6-10-8/h8-10H,1-7H2
InChIKeyYMQTZYRZBZVKHS-UHFFFAOYSA-N
XLogP0.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylpiperidine;hydrobromide
CID 131717239
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330
2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
N-[2-(dimethylamino)ethyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55227545
8-ethyl-1,7-diazacyclopentadecane
CID 123357765
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-(cyclobutylmethyl)-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55125771
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
N-(4-methylcyclohexyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973720
N-(3-cyclopentylpropyl)-1-piperidin-2-ylmethanesulfonamide
CID 106013597

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylmethyl)piperidine?
The IUPAC name of 2-(cyclopropylsulfonylmethyl)piperidine (CID 84671803) is 2-(cyclopropylsulfonylmethyl)piperidine.
What is the SMILES notation for 2-(cyclopropylsulfonylmethyl)piperidine?
The canonical SMILES for 2-(cyclopropylsulfonylmethyl)piperidine is O=S(=O)(CC1CCCCN1)C1CC1.
What is the InChIKey of 2-(cyclopropylsulfonylmethyl)piperidine?
The InChIKey is YMQTZYRZBZVKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-13(12,9-4-5-9)7-8-3-1-2-6-10-8/h8-10H,1-7H2.
What are the key properties of 2-(cyclopropylsulfonylmethyl)piperidine?
2-(cyclopropylsulfonylmethyl)piperidine has a molecular weight of 203.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylmethyl)piperidine is sourced from PubChem (CID 84671803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).