1-(Butane-1-sulfonyl)-2-methylpiperidine

C10H21NO2S — CID 303059

IUPAC1-butylsulfonyl-2-methylpiperidine
SMILESCCCCS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C10H21NO2S/c1-3-4-9-14(12,13)11-8-6-5-7-10(11)2/h10H,3-9H2,1-2H3
InChIKeyVRXLKMMDSKOURY-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.00
Rot. Bonds4

About 1-(Butane-1-sulfonyl)-2-methylpiperidine

1-(Butane-1-sulfonyl)-2-methylpiperidine (PubChem CID 303059) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-butylsulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(Butane-1-sulfonyl)-2-methylpiperidine
PubChem CID303059
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-butylsulfonyl-2-methylpiperidine
SMILESCCCCS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C10H21NO2S/c1-3-4-9-14(12,13)11-8-6-5-7-10(11)2/h10H,3-9H2,1-2H3
InChIKeyVRXLKMMDSKOURY-UHFFFAOYSA-N
XLogP2.00
TPSA45.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity256

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-2,6-Dimethyl-1-methyl sulfonyl piperidine
CID 44245252
piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
CID 10130697
Butyl piperidino sulfone
CID 261674
1-Propylsulfonylpiperidine
CID 303126
1-Cyclopentyl-4-(ethylsulfonyl)piperazine
CID 740709
1-Pentylsulfonylpiperidine
CID 303124
N-cyclohexyl-N-ethylmethanesulfonamide
CID 799015
1-(Propane-1-sulfonyl)piperidin-4-amine
CID 16774109
(2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine
CID 95344705
1-(3-Fluoropropylsulfonyl)piperidine
CID 129349168
1-(Propane-2-sulfonyl)piperidin-4-amine
CID 21090392
2-Ethyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 57545274

Frequently Asked Questions

What is the IUPAC name of 1-(Butane-1-sulfonyl)-2-methylpiperidine?
The IUPAC name of 1-(Butane-1-sulfonyl)-2-methylpiperidine (CID 303059) is 1-butylsulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(Butane-1-sulfonyl)-2-methylpiperidine?
The canonical SMILES for 1-(Butane-1-sulfonyl)-2-methylpiperidine is CCCCS(=O)(=O)N1CCCCC1C.
What is the InChIKey of 1-(Butane-1-sulfonyl)-2-methylpiperidine?
The InChIKey is VRXLKMMDSKOURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-4-9-14(12,13)11-8-6-5-7-10(11)2/h10H,3-9H2,1-2H3.
What are the key properties of 1-(Butane-1-sulfonyl)-2-methylpiperidine?
1-(Butane-1-sulfonyl)-2-methylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(Butane-1-sulfonyl)-2-methylpiperidine is sourced from PubChem (CID 303059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).