1-cyclopropylsulfonyl-3-propan-2-ylpiperidine

C11H21NO2S — CID 59815636

IUPAC1-cyclopropylsulfonyl-3-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H21NO2S/c1-9(2)10-4-3-7-12(8-10)15(13,14)11-5-6-11/h9-11H,3-8H2,1-2H3
InChIKeyRSEJKYCTEZLIFO-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.85
Rot. Bonds3

About 1-cyclopropylsulfonyl-3-propan-2-ylpiperidine

1-cyclopropylsulfonyl-3-propan-2-ylpiperidine (PubChem CID 59815636) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-propan-2-ylpiperidine
PubChem CID59815636
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-cyclopropylsulfonyl-3-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H21NO2S/c1-9(2)10-4-3-7-12(8-10)15(13,14)11-5-6-11/h9-11H,3-8H2,1-2H3
InChIKeyRSEJKYCTEZLIFO-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-propan-2-ylpiperidine?
The IUPAC name of 1-cyclopropylsulfonyl-3-propan-2-ylpiperidine (CID 59815636) is 1-cyclopropylsulfonyl-3-propan-2-ylpiperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-propan-2-ylpiperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-3-propan-2-ylpiperidine is CC(C)C1CCCN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-propan-2-ylpiperidine?
The InChIKey is RSEJKYCTEZLIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9(2)10-4-3-7-12(8-10)15(13,14)11-5-6-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropylsulfonyl-3-propan-2-ylpiperidine?
1-cyclopropylsulfonyl-3-propan-2-ylpiperidine has a molecular weight of 231.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-propan-2-ylpiperidine is sourced from PubChem (CID 59815636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).