(3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol

C11H22N2O3S — CID 72892335

IUPAC(3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
SMILESCC1(C)CN(S(=O)(=O)N2CCCC2)C[C@]1(C)O
InChIInChI=1S/C11H22N2O3S/c1-10(2)8-13(9-11(10,3)14)17(15,16)12-6-4-5-7-12/h14H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyGWWTVACVMRHKPK-NSHDSACASA-N
MW262.37 g/mol
LogP0.42
Rot. Bonds2

About (3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol

(3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol (PubChem CID 72892335) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
PubChem CID72892335
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
SMILESCC1(C)CN(S(=O)(=O)N2CCCC2)C[C@]1(C)O
InChIInChI=1S/C11H22N2O3S/c1-10(2)8-13(9-11(10,3)14)17(15,16)12-6-4-5-7-12/h14H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyGWWTVACVMRHKPK-NSHDSACASA-N
XLogP0.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol (CID 72892335) is (3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol is CC1(C)CN(S(=O)(=O)N2CCCC2)C[C@]1(C)O.
What is the InChIKey of (3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
The InChIKey is GWWTVACVMRHKPK-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10(2)8-13(9-11(10,3)14)17(15,16)12-6-4-5-7-12/h14H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol?
(3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol has a molecular weight of 262.37 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,4-trimethyl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 72892335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).