N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide

C13H26N2O3S — CID 83039444

IUPACN-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)C2CCNC2)CCO1
InChIInChI=1S/C13H26N2O3S/c1-3-13(4-2)9-11(6-8-18-13)15-19(16,17)12-5-7-14-10-12/h11-12,14-15H,3-10H2,1-2H3
InChIKeySNTTVHBXVPJKHN-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.01
Rot. Bonds5

About N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide

N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide (PubChem CID 83039444) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide
PubChem CID83039444
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)C2CCNC2)CCO1
InChIInChI=1S/C13H26N2O3S/c1-3-13(4-2)9-11(6-8-18-13)15-19(16,17)12-5-7-14-10-12/h11-12,14-15H,3-10H2,1-2H3
InChIKeySNTTVHBXVPJKHN-UHFFFAOYSA-N
XLogP1.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide (CID 83039444) is N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide is CCC1(CC)CC(NS(=O)(=O)C2CCNC2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide?
The InChIKey is SNTTVHBXVPJKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-13(4-2)9-11(6-8-18-13)15-19(16,17)12-5-7-14-10-12/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide?
N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 83039444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).