(2S)-2-(2-methylpropylsulfonylmethyl)piperidine

C10H21NO2S — CID 97301330

IUPAC(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
SMILESCC(C)CS(=O)(=O)C[C@@H]1CCCCN1
InChIInChI=1S/C10H21NO2S/c1-9(2)7-14(12,13)8-10-5-3-4-6-11-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyORDGDDFQKXKMRD-JTQLQIEISA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds4

About (2S)-2-(2-methylpropylsulfonylmethyl)piperidine

(2S)-2-(2-methylpropylsulfonylmethyl)piperidine (PubChem CID 97301330) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (2S)-2-(2-methylpropylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
PubChem CID97301330
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
SMILESCC(C)CS(=O)(=O)C[C@@H]1CCCCN1
InChIInChI=1S/C10H21NO2S/c1-9(2)7-14(12,13)8-10-5-3-4-6-11-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyORDGDDFQKXKMRD-JTQLQIEISA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
2-(3-methylbutylsulfonylmethyl)pyrrolidine
CID 115071189
N,2-dimethyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630556
N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide
CID 107870369
2-ethylpiperidine;hydrobromide
CID 131717239
2-(cyclopropylsulfonylmethyl)piperidine
CID 84671803
methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride
CID 72716377
N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
CID 102699220
N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973926
(2R)-2-(2-propan-2-ylsulfonylethyl)piperidine
CID 28708555
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropylsulfonylmethyl)piperidine?
The IUPAC name of (2S)-2-(2-methylpropylsulfonylmethyl)piperidine (CID 97301330) is (2S)-2-(2-methylpropylsulfonylmethyl)piperidine.
What is the SMILES notation for (2S)-2-(2-methylpropylsulfonylmethyl)piperidine?
The canonical SMILES for (2S)-2-(2-methylpropylsulfonylmethyl)piperidine is CC(C)CS(=O)(=O)C[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(2-methylpropylsulfonylmethyl)piperidine?
The InChIKey is ORDGDDFQKXKMRD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)7-14(12,13)8-10-5-3-4-6-11-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(2-methylpropylsulfonylmethyl)piperidine?
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropylsulfonylmethyl)piperidine is sourced from PubChem (CID 97301330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).