N-pyrrolidin-3-yloxane-4-sulfonamide

C9H18N2O3S — CID 62049739

IUPACN-pyrrolidin-3-yloxane-4-sulfonamide
SMILESO=S(=O)(NC1CCNC1)C1CCOCC1
InChIInChI=1S/C9H18N2O3S/c12-15(13,9-2-5-14-6-3-9)11-8-1-4-10-7-8/h8-11H,1-7H2
InChIKeyKGOURYIEWTXANT-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.55
Rot. Bonds3

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

N-pyrrolidin-3-yloxane-4-sulfonamide (PubChem CID 62049739) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-pyrrolidin-3-yloxane-4-sulfonamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yloxane-4-sulfonamide
PubChem CID62049739
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-pyrrolidin-3-yloxane-4-sulfonamide
SMILESO=S(=O)(NC1CCNC1)C1CCOCC1
InChIInChI=1S/C9H18N2O3S/c12-15(13,9-2-5-14-6-3-9)11-8-1-4-10-7-8/h8-11H,1-7H2
InChIKeyKGOURYIEWTXANT-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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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yloxane-4-sulfonamide?
The IUPAC name of N-pyrrolidin-3-yloxane-4-sulfonamide (CID 62049739) is N-pyrrolidin-3-yloxane-4-sulfonamide.
What is the SMILES notation for N-pyrrolidin-3-yloxane-4-sulfonamide?
The canonical SMILES for N-pyrrolidin-3-yloxane-4-sulfonamide is O=S(=O)(NC1CCNC1)C1CCOCC1.
What is the InChIKey of N-pyrrolidin-3-yloxane-4-sulfonamide?
The InChIKey is KGOURYIEWTXANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c12-15(13,9-2-5-14-6-3-9)11-8-1-4-10-7-8/h8-11H,1-7H2.
What are the key properties of N-pyrrolidin-3-yloxane-4-sulfonamide?
N-pyrrolidin-3-yloxane-4-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-pyrrolidin-3-yloxane-4-sulfonamide is sourced from PubChem (CID 62049739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).