ethane;1-methyl-4-(methylsulfonylmethyl)piperidine

C10H23NO2S — CID 145006489

IUPACethane;1-methyl-4-(methylsulfonylmethyl)piperidine
SMILESCC.CN1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO2S.C2H6/c1-9-5-3-8(4-6-9)7-12(2,10)11;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyNZEPBFNWFSIMSN-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.40
Rot. Bonds2

About ethane;1-methyl-4-(methylsulfonylmethyl)piperidine

ethane;1-methyl-4-(methylsulfonylmethyl)piperidine (PubChem CID 145006489) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is ethane;1-methyl-4-(methylsulfonylmethyl)piperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-(methylsulfonylmethyl)piperidine
PubChem CID145006489
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Nameethane;1-methyl-4-(methylsulfonylmethyl)piperidine
SMILESCC.CN1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO2S.C2H6/c1-9-5-3-8(4-6-9)7-12(2,10)11;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyNZEPBFNWFSIMSN-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylsulfonylmethyl)piperidin-1-amine
CID 130735620
N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide
CID 110736099
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017
4-ethyl-1-methylpiperidine;formonitrile
CID 175849532
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
ethane;1-methylpiperidin-4-amine
CID 123622295
4-(methylsulfonylmethyl)azepane
CID 170910432
1-ethyl-3-(methylsulfonylmethyl)azetidine
CID 66972312
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(methylsulfonylmethyl)piperidine?
The IUPAC name of ethane;1-methyl-4-(methylsulfonylmethyl)piperidine (CID 145006489) is ethane;1-methyl-4-(methylsulfonylmethyl)piperidine.
What is the SMILES notation for ethane;1-methyl-4-(methylsulfonylmethyl)piperidine?
The canonical SMILES for ethane;1-methyl-4-(methylsulfonylmethyl)piperidine is CC.CN1CCC(CS(C)(=O)=O)CC1.
What is the InChIKey of ethane;1-methyl-4-(methylsulfonylmethyl)piperidine?
The InChIKey is NZEPBFNWFSIMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.C2H6/c1-9-5-3-8(4-6-9)7-12(2,10)11;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(methylsulfonylmethyl)piperidine?
ethane;1-methyl-4-(methylsulfonylmethyl)piperidine has a molecular weight of 221.37 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(methylsulfonylmethyl)piperidine is sourced from PubChem (CID 145006489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).