3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide

C11H23N3O3S — CID 73439666

IUPAC3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(O)(CN2CCCC2)C1
InChIInChI=1S/C11H23N3O3S/c1-12(2)18(16,17)14-8-5-11(15,10-14)9-13-6-3-4-7-13/h15H,3-10H2,1-2H3
InChIKeyUPTSMMRSHRVRJW-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.67
Rot. Bonds4

About 3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide

3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide (PubChem CID 73439666) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide
PubChem CID73439666
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(O)(CN2CCCC2)C1
InChIInChI=1S/C11H23N3O3S/c1-12(2)18(16,17)14-8-5-11(15,10-14)9-13-6-3-4-7-13/h15H,3-10H2,1-2H3
InChIKeyUPTSMMRSHRVRJW-UHFFFAOYSA-N
XLogP-0.67
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide (CID 73439666) is 3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(O)(CN2CCCC2)C1.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide?
The InChIKey is UPTSMMRSHRVRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-12(2)18(16,17)14-8-5-11(15,10-14)9-13-6-3-4-7-13/h15H,3-10H2,1-2H3.
What are the key properties of 3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide?
3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 73439666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).