N-(oxan-3-yl)pyrrolidine-3-sulfonamide

C9H18N2O3S — CID 65418986

IUPACN-(oxan-3-yl)pyrrolidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCOC1)C1CCNC1
InChIInChI=1S/C9H18N2O3S/c12-15(13,9-3-4-10-6-9)11-8-2-1-5-14-7-8/h8-11H,1-7H2
InChIKeyRWZBQBZJLCUOMQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.55
Rot. Bonds3

About N-(oxan-3-yl)pyrrolidine-3-sulfonamide

N-(oxan-3-yl)pyrrolidine-3-sulfonamide (PubChem CID 65418986) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(oxan-3-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(oxan-3-yl)pyrrolidine-3-sulfonamide
PubChem CID65418986
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(oxan-3-yl)pyrrolidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCOC1)C1CCNC1
InChIInChI=1S/C9H18N2O3S/c12-15(13,9-3-4-10-6-9)11-8-2-1-5-14-7-8/h8-11H,1-7H2
InChIKeyRWZBQBZJLCUOMQ-UHFFFAOYSA-N
XLogP-0.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-3-yl)pyrrolidine-3-sulfonamide
CID 80714879
N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide
CID 120876535
N-(oxan-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 55190208
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide
CID 65471678
N-(oxan-3-yl)propane-1-sulfonamide
CID 63611666
N-(1-piperidin-3-ylethyl)oxane-3-sulfonamide
CID 119052630
N-piperidin-4-ylcyclopentanesulfonamide
CID 115752108
N-(azepan-4-yl)cyclopentanesulfonamide
CID 107172836
N-cyclopropyl-4-pyrrolidin-3-ylsulfonylmorpholine-3-carboxamide
CID 83104809
N-(piperidin-3-ylmethyl)oxan-3-amine
CID 80555107
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
(3R)-N-ethylpyrrolidine-3-sulfonamide
CID 96995954

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(oxan-3-yl)pyrrolidine-3-sulfonamide (CID 65418986) is N-(oxan-3-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(oxan-3-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(oxan-3-yl)pyrrolidine-3-sulfonamide is O=S(=O)(NC1CCCOC1)C1CCNC1.
What is the InChIKey of N-(oxan-3-yl)pyrrolidine-3-sulfonamide?
The InChIKey is RWZBQBZJLCUOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c12-15(13,9-3-4-10-6-9)11-8-2-1-5-14-7-8/h8-11H,1-7H2.
What are the key properties of N-(oxan-3-yl)pyrrolidine-3-sulfonamide?
N-(oxan-3-yl)pyrrolidine-3-sulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65418986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).