(2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine

C14H27NOS — CID 67331128

IUPAC(2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine
SMILESCC(C)CS(=O)N1CCC[C@@H]1C1CCCCC1
InChIInChI=1S/C14H27NOS/c1-12(2)11-17(16)15-10-6-9-14(15)13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3/t14-,17?/m1/s1
InChIKeyCUHXIATYWZQOHK-XPCCGILXSA-N
MW257.44 g/mol
LogP3.35
Rot. Bonds4

About (2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine

(2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine (PubChem CID 67331128) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine
PubChem CID67331128
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name(2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine
SMILESCC(C)CS(=O)N1CCC[C@@H]1C1CCCCC1
InChIInChI=1S/C14H27NOS/c1-12(2)11-17(16)15-10-6-9-14(15)13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3/t14-,17?/m1/s1
InChIKeyCUHXIATYWZQOHK-XPCCGILXSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine?
The IUPAC name of (2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine (CID 67331128) is (2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine.
What is the SMILES notation for (2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine?
The canonical SMILES for (2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine is CC(C)CS(=O)N1CCC[C@@H]1C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine?
The InChIKey is CUHXIATYWZQOHK-XPCCGILXSA-N. The full InChI is InChI=1S/C14H27NOS/c1-12(2)11-17(16)15-10-6-9-14(15)13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3/t14-,17?/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine?
(2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine has a molecular weight of 257.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine is sourced from PubChem (CID 67331128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).