(2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine

C14H27NOS — CID 67331123

IUPAC(2R)-1-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?/m1/s1
InChIKeyFLUVKTJPNYSIMW-FWJOYPJLSA-N
MW257.44 g/mol
LogP3.49
Rot. Bonds2

About (2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine

(2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine (PubChem CID 67331123) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is (2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine
PubChem CID67331123
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name(2R)-1-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?/m1/s1
InChIKeyFLUVKTJPNYSIMW-FWJOYPJLSA-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

1-tert-butylsulfinyl-2-cyclohexylpyrrolidine
CID 75167467
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
(2S)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
CID 71059937
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 64593206
(2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine
CID 67330407
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
1-tert-butylsulfinylpyrrolidine
CID 123701742
2-methyl-2-azatricyclo[11.7.0.03,9]icosane
CID 155380713
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cycloheptan-1-amine
CID 65321124
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine?
The IUPAC name of (2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine (CID 67331123) is (2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine.
What is the SMILES notation for (2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine?
The canonical SMILES for (2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine is CC(C)(C)S(=O)N1CCC[C@@H]1C1CCCCC1.
What is the InChIKey of (2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine?
The InChIKey is FLUVKTJPNYSIMW-FWJOYPJLSA-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?/m1/s1.
What are the key properties of (2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine?
(2R)-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 (2R)-1-tert-butylsulfinyl-2-cyclohexylpyrrolidine is sourced from PubChem (CID 67331123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).