1-tert-butylsulfinylpiperidine

C9H19NOS — CID 86065989

IUPAC1-tert-butylsulfinylpiperidine
SMILESCC(C)(C)S(=O)N1CCCCC1
InChIInChI=1S/C9H19NOS/c1-9(2,3)12(11)10-7-5-4-6-8-10/h4-8H2,1-3H3
InChIKeyUEAVZVJSYQSBTN-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.93
Rot. Bonds1

About 1-tert-butylsulfinylpiperidine

1-tert-butylsulfinylpiperidine (PubChem CID 86065989) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-tert-butylsulfinylpiperidine.

Molecular Properties

Compound Name1-tert-butylsulfinylpiperidine
PubChem CID86065989
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-tert-butylsulfinylpiperidine
SMILESCC(C)(C)S(=O)N1CCCCC1
InChIInChI=1S/C9H19NOS/c1-9(2,3)12(11)10-7-5-4-6-8-10/h4-8H2,1-3H3
InChIKeyUEAVZVJSYQSBTN-UHFFFAOYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfinylpiperidine?
The IUPAC name of 1-tert-butylsulfinylpiperidine (CID 86065989) is 1-tert-butylsulfinylpiperidine.
What is the SMILES notation for 1-tert-butylsulfinylpiperidine?
The canonical SMILES for 1-tert-butylsulfinylpiperidine is CC(C)(C)S(=O)N1CCCCC1.
What is the InChIKey of 1-tert-butylsulfinylpiperidine?
The InChIKey is UEAVZVJSYQSBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2,3)12(11)10-7-5-4-6-8-10/h4-8H2,1-3H3.
What are the key properties of 1-tert-butylsulfinylpiperidine?
1-tert-butylsulfinylpiperidine has a molecular weight of 189.32 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfinylpiperidine is sourced from PubChem (CID 86065989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).