2-methyl-1-propan-2-ylsulfonylpiperidine

C9H19NO2S — CID 59266035

IUPAC2-methyl-1-propan-2-ylsulfonylpiperidine
SMILESCC1CCCCN1S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-8(2)13(11,12)10-7-5-4-6-9(10)3/h8-9H,4-7H2,1-3H3
InChIKeyJXDYOJFYXJQHET-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.60
Rot. Bonds2

About 2-methyl-1-propan-2-ylsulfonylpiperidine

2-methyl-1-propan-2-ylsulfonylpiperidine (PubChem CID 59266035) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylsulfonylpiperidine
PubChem CID59266035
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-methyl-1-propan-2-ylsulfonylpiperidine
SMILESCC1CCCCN1S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-8(2)13(11,12)10-7-5-4-6-9(10)3/h8-9H,4-7H2,1-3H3
InChIKeyJXDYOJFYXJQHET-UHFFFAOYSA-N
XLogP1.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methylpiperidine-1-sulfonyl chloride
CID 98117610
2-(2-methylpyrrolidin-1-yl)sulfonylpropanoic acid
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2-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxylic acid
CID 106742411
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
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2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965380
N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 61348368
(2R)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95301386
(2S)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
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N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 2-methyl-1-propan-2-ylsulfonylpiperidine (CID 59266035) is 2-methyl-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 2-methyl-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 2-methyl-1-propan-2-ylsulfonylpiperidine is CC1CCCCN1S(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-ylsulfonylpiperidine?
The InChIKey is JXDYOJFYXJQHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)13(11,12)10-7-5-4-6-9(10)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-ylsulfonylpiperidine?
2-methyl-1-propan-2-ylsulfonylpiperidine has a molecular weight of 205.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 59266035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).