(2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide

C12H24N2O3S — CID 97239252

IUPAC(2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C12H24N2O3S/c1-2-7-13(9-11-5-6-11)18(16,17)14-8-3-4-12(14)10-15/h11-12,15H,2-10H2,1H3/t12-/m1/s1
InChIKeyZCBXKHWCUUOJFL-GFCCVEGCSA-N
MW276.40 g/mol
LogP0.81
Rot. Bonds7

About (2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide

(2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide (PubChem CID 97239252) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide
PubChem CID97239252
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C12H24N2O3S/c1-2-7-13(9-11-5-6-11)18(16,17)14-8-3-4-12(14)10-15/h11-12,15H,2-10H2,1H3/t12-/m1/s1
InChIKeyZCBXKHWCUUOJFL-GFCCVEGCSA-N
XLogP0.81
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide (CID 97239252) is (2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide is CCCN(CC1CC1)S(=O)(=O)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide?
The InChIKey is ZCBXKHWCUUOJFL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-7-13(9-11-5-6-11)18(16,17)14-8-3-4-12(14)10-15/h11-12,15H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide?
(2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 97239252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).