(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine

C14H27NOS — CID 123257639

IUPAC(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine
SMILESCC(C)(C)[S@@](=O)N1CCC[C@H]1C1CCCCC1
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/t13-,17+/m0/s1
InChIKeyFLUVKTJPNYSIMW-SUMWQHHRSA-N
MW257.44 g/mol
LogP3.49
Rot. Bonds2

About (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine

(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine (PubChem CID 123257639) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine
PubChem CID123257639
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine
SMILESCC(C)(C)[S@@](=O)N1CCC[C@H]1C1CCCCC1
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/t13-,17+/m0/s1
InChIKeyFLUVKTJPNYSIMW-SUMWQHHRSA-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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Related Compounds

(R)-1-((S)-2-Methyl-propane-2-sulfinyl)-2-cyclohexyl-pyrrolidine
CID 46188855
(S)-1-((S)-2-Methyl-propane-2-sulfinyl)-2-cyclohexyl pyrrolidine
CID 67330440
(2S)-2-cyclohexyl-1-methylsulfonylpyrrolidine
CID 95358786
(2S)-2-cyclohexyl-1-(3,3-dimethylbutylsulfonyl)pyrrolidine
CID 99807778
(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine
CID 12065543
(2R)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine
CID 134994224
2-(4-Methylcyclohexyl)-1,2-thiazolidine 1,1-dioxide
CID 59254837
(2S)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine
CID 67330441
(2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine
CID 67331123
(2R)-2-cyclohexyl-1-(2-methylpropylsulfinyl)pyrrolidine
CID 67331128
(5R)-5-cyclohexyl-2-ethyl-1,2-thiazolidine 1,1-dioxide
CID 70265107
1-Tert-butylsulfinyl-2-cyclohexylpyrrolidine
CID 75167467

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine?
The IUPAC name of (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine (CID 123257639) is (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine.
What is the SMILES notation for (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine?
The canonical SMILES for (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine is CC(C)(C)[S@@](=O)N1CCC[C@H]1C1CCCCC1.
What is the InChIKey of (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine?
The InChIKey is FLUVKTJPNYSIMW-SUMWQHHRSA-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/t13-,17+/m0/s1.
What are the key properties of (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine?
(2S)-1-[(R)-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 (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylpyrrolidine is sourced from PubChem (CID 123257639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).