1-tert-butylsulfinyl-2-cyclohexylpyrrolidine

C14H27NOS — CID 75167467

IUPAC1-tert-butylsulfinyl-2-cyclohexylpyrrolidine
SMILESCC(C)(C)S(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C14H27NOS/c1-14(2,3)17(16)15-11-7-10-13(15)12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3
InChIKeyFLUVKTJPNYSIMW-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.49
Rot. Bonds2

About 1-tert-butylsulfinyl-2-cyclohexylpyrrolidine

1-tert-butylsulfinyl-2-cyclohexylpyrrolidine (PubChem CID 75167467) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 1-tert-butylsulfinyl-2-cyclohexylpyrrolidine.

Molecular Properties

Compound Name1-tert-butylsulfinyl-2-cyclohexylpyrrolidine
PubChem CID75167467
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name1-tert-butylsulfinyl-2-cyclohexylpyrrolidine
SMILESCC(C)(C)S(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C14H27NOS/c1-14(2,3)17(16)15-11-7-10-13(15)12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3
InChIKeyFLUVKTJPNYSIMW-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfinyl-2-cyclohexylpyrrolidine?
The IUPAC name of 1-tert-butylsulfinyl-2-cyclohexylpyrrolidine (CID 75167467) is 1-tert-butylsulfinyl-2-cyclohexylpyrrolidine.
What is the SMILES notation for 1-tert-butylsulfinyl-2-cyclohexylpyrrolidine?
The canonical SMILES for 1-tert-butylsulfinyl-2-cyclohexylpyrrolidine is CC(C)(C)S(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 1-tert-butylsulfinyl-2-cyclohexylpyrrolidine?
The InChIKey is FLUVKTJPNYSIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-14(2,3)17(16)15-11-7-10-13(15)12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-tert-butylsulfinyl-2-cyclohexylpyrrolidine?
1-tert-butylsulfinyl-2-cyclohexylpyrrolidine has a molecular weight of 257.44 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfinyl-2-cyclohexylpyrrolidine is sourced from PubChem (CID 75167467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).