N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide

C12H24N2O3S — CID 55139077

IUPACN-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H24N2O3S/c1-2-7-14(11-3-6-13-10-11)18(15,16)12-4-8-17-9-5-12/h11-13H,2-10H2,1H3
InChIKeyFGESTDFPHPUGMA-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.57
Rot. Bonds5

About N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide

N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide (PubChem CID 55139077) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide
PubChem CID55139077
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H24N2O3S/c1-2-7-14(11-3-6-13-10-11)18(15,16)12-4-8-17-9-5-12/h11-13H,2-10H2,1H3
InChIKeyFGESTDFPHPUGMA-UHFFFAOYSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide (CID 55139077) is N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide is CCCN(C1CCNC1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide?
The InChIKey is FGESTDFPHPUGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-7-14(11-3-6-13-10-11)18(15,16)12-4-8-17-9-5-12/h11-13H,2-10H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide?
N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide is sourced from PubChem (CID 55139077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).