(3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide

C12H24N2O3S — CID 97024463

IUPAC(3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide
SMILESCC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)[C@@H]2CCOC2)C1
InChIInChI=1S/C12H24N2O3S/c1-9(2)14-6-10(3)12(7-14)13-18(15,16)11-4-5-17-8-11/h9-13H,4-8H2,1-3H3/t10-,11-,12+/m1/s1
InChIKeyHOZIVPJBZDRDDL-UTUOFQBUSA-N
MW276.40 g/mol
LogP0.42
Rot. Bonds4

About (3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide

(3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide (PubChem CID 97024463) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide
PubChem CID97024463
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide
SMILESCC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)[C@@H]2CCOC2)C1
InChIInChI=1S/C12H24N2O3S/c1-9(2)14-6-10(3)12(7-14)13-18(15,16)11-4-5-17-8-11/h9-13H,4-8H2,1-3H3/t10-,11-,12+/m1/s1
InChIKeyHOZIVPJBZDRDDL-UTUOFQBUSA-N
XLogP0.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide?
The IUPAC name of (3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide (CID 97024463) is (3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide.
What is the SMILES notation for (3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide?
The canonical SMILES for (3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide is CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)[C@@H]2CCOC2)C1.
What is the InChIKey of (3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide?
The InChIKey is HOZIVPJBZDRDDL-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-9(2)14-6-10(3)12(7-14)13-18(15,16)11-4-5-17-8-11/h9-13H,4-8H2,1-3H3/t10-,11-,12+/m1/s1.
What are the key properties of (3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide?
(3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide is sourced from PubChem (CID 97024463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).