2-methyl-3-propan-2-ylsulfonylpiperidine

C9H19NO2S — CID 135212838

IUPAC2-methyl-3-propan-2-ylsulfonylpiperidine
SMILESCC1NCCCC1S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-7(2)13(11,12)9-5-4-6-10-8(9)3/h7-10H,4-6H2,1-3H3
InChIKeyAXJHJQVLZZJHLQ-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.95
Rot. Bonds2

About 2-methyl-3-propan-2-ylsulfonylpiperidine

2-methyl-3-propan-2-ylsulfonylpiperidine (PubChem CID 135212838) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylsulfonylpiperidine
PubChem CID135212838
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-methyl-3-propan-2-ylsulfonylpiperidine
SMILESCC1NCCCC1S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-7(2)13(11,12)9-5-4-6-10-8(9)3/h7-10H,4-6H2,1-3H3
InChIKeyAXJHJQVLZZJHLQ-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylsulfonylpiperidine?
The IUPAC name of 2-methyl-3-propan-2-ylsulfonylpiperidine (CID 135212838) is 2-methyl-3-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 2-methyl-3-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 2-methyl-3-propan-2-ylsulfonylpiperidine is CC1NCCCC1S(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-ylsulfonylpiperidine?
The InChIKey is AXJHJQVLZZJHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(2)13(11,12)9-5-4-6-10-8(9)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylsulfonylpiperidine?
2-methyl-3-propan-2-ylsulfonylpiperidine has a molecular weight of 205.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 135212838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).