(3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol

C12H25N3O3S — CID 86283113

IUPAC(3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol
SMILESCN1CCN(S(=O)(=O)N2CC(C)(C)[C@@](C)(O)C2)CC1
InChIInChI=1S/C12H25N3O3S/c1-11(2)9-15(10-12(11,3)16)19(17,18)14-7-5-13(4)6-8-14/h16H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyBCGLTZADQVOYLE-LBPRGKRZSA-N
MW291.42 g/mol
LogP-0.43
Rot. Bonds2

About (3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol

(3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol (PubChem CID 86283113) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is (3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol
PubChem CID86283113
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name(3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol
SMILESCN1CCN(S(=O)(=O)N2CC(C)(C)[C@@](C)(O)C2)CC1
InChIInChI=1S/C12H25N3O3S/c1-11(2)9-15(10-12(11,3)16)19(17,18)14-7-5-13(4)6-8-14/h16H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyBCGLTZADQVOYLE-LBPRGKRZSA-N
XLogP-0.43
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol (CID 86283113) is (3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol is CN1CCN(S(=O)(=O)N2CC(C)(C)[C@@](C)(O)C2)CC1.
What is the InChIKey of (3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is BCGLTZADQVOYLE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-11(2)9-15(10-12(11,3)16)19(17,18)14-7-5-13(4)6-8-14/h16H,5-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol?
(3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 291.42 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,4-trimethyl-1-(4-methylpiperazin-1-yl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 86283113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).