(3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine

C14H27NO4S2 — CID 97417153

IUPAC(3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine
SMILESCC(C)(C)S(=O)(=O)[C@@H]1CCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C14H27NO4S2/c1-14(2,3)20(16,17)13-9-10-15(11-13)21(18,19)12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyNLLLPXKIOFZMOB-CYBMUJFWSA-N
MW337.51 g/mol
LogP1.94
Rot. Bonds3

About (3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine

(3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine (PubChem CID 97417153) has the molecular formula C14H27NO4S2 and a molecular weight of 337.51 g/mol. Its IUPAC name is (3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine
PubChem CID97417153
Molecular FormulaC14H27NO4S2
Molecular Weight337.51 g/mol
Exact Mass337.14
IUPAC Name(3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine
SMILESCC(C)(C)S(=O)(=O)[C@@H]1CCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C14H27NO4S2/c1-14(2,3)20(16,17)13-9-10-15(11-13)21(18,19)12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyNLLLPXKIOFZMOB-CYBMUJFWSA-N
XLogP1.94
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-cyclohexylsulfonyl-3-methylpiperidine
CID 114683695
1-cyclopropylsulfonyl-4-methylsulfonylpiperidine
CID 71805701
1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol
CID 112627564
4-tert-butyl-1-cyclopropylsulfonylpiperidine
CID 59732265
1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
CID 55150630
(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
CID 62370983
1-[(3S)-3-tert-butylsulfonylpyrrolidin-1-yl]-2-cyclopentylsulfanylethanone
CID 97427285
2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide
CID 90592811
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63877943
methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate
CID 115602676
3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine
CID 63400590
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117

Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine?
The IUPAC name of (3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine (CID 97417153) is (3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine.
What is the SMILES notation for (3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine?
The canonical SMILES for (3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine is CC(C)(C)S(=O)(=O)[C@@H]1CCN(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of (3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine?
The InChIKey is NLLLPXKIOFZMOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27NO4S2/c1-14(2,3)20(16,17)13-9-10-15(11-13)21(18,19)12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine?
(3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine has a molecular weight of 337.51 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butylsulfonyl-1-cyclohexylsulfonylpyrrolidine is sourced from PubChem (CID 97417153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).