3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide

C12H26N2O3S — CID 115744998

IUPAC3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H26N2O3S/c1-3-7-13(8-4-2)18(16,17)14-9-5-12(11-14)6-10-15/h12,15H,3-11H2,1-2H3
InChIKeyDKKGYOFKXUUPRZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.06
Rot. Bonds8

About 3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide

3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide (PubChem CID 115744998) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
PubChem CID115744998
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H26N2O3S/c1-3-7-13(8-4-2)18(16,17)14-9-5-12(11-14)6-10-15/h12,15H,3-11H2,1-2H3
InChIKeyDKKGYOFKXUUPRZ-UHFFFAOYSA-N
XLogP1.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733
4-amino-N,N-dipropylpiperidine-1-sulfonamide
CID 43556362
3-hydroxy-N,N-dipropylpiperidine-1-sulfonamide
CID 43502985
2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol
CID 114799312
N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 114386511
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
2-[1-[2-(ethylamino)ethylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114798317
2-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 107652578
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
CID 61448219
1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid
CID 115917661
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
N-(2-hydroxyethyl)-2-methyl-N-propylpiperidine-1-sulfonamide
CID 61425514

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide (CID 115744998) is 3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide?
The InChIKey is DKKGYOFKXUUPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-7-13(8-4-2)18(16,17)14-9-5-12(11-14)6-10-15/h12,15H,3-11H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide?
3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 115744998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).