N-pyrrolidin-3-ylmorpholine-4-sulfonamide

C8H17N3O3S — CID 43602885

IUPACN-pyrrolidin-3-ylmorpholine-4-sulfonamide
SMILESO=S(=O)(NC1CCNC1)N1CCOCC1
InChIInChI=1S/C8H17N3O3S/c12-15(13,10-8-1-2-9-7-8)11-3-5-14-6-4-11/h8-10H,1-7H2
InChIKeyJYPKEEKYYNCBQC-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.49
Rot. Bonds3

About N-pyrrolidin-3-ylmorpholine-4-sulfonamide

N-pyrrolidin-3-ylmorpholine-4-sulfonamide (PubChem CID 43602885) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-pyrrolidin-3-ylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylmorpholine-4-sulfonamide
PubChem CID43602885
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC NameN-pyrrolidin-3-ylmorpholine-4-sulfonamide
SMILESO=S(=O)(NC1CCNC1)N1CCOCC1
InChIInChI=1S/C8H17N3O3S/c12-15(13,10-8-1-2-9-7-8)11-3-5-14-6-4-11/h8-10H,1-7H2
InChIKeyJYPKEEKYYNCBQC-UHFFFAOYSA-N
XLogP-1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylmorpholine-4-sulfonamide?
The IUPAC name of N-pyrrolidin-3-ylmorpholine-4-sulfonamide (CID 43602885) is N-pyrrolidin-3-ylmorpholine-4-sulfonamide.
What is the SMILES notation for N-pyrrolidin-3-ylmorpholine-4-sulfonamide?
The canonical SMILES for N-pyrrolidin-3-ylmorpholine-4-sulfonamide is O=S(=O)(NC1CCNC1)N1CCOCC1.
What is the InChIKey of N-pyrrolidin-3-ylmorpholine-4-sulfonamide?
The InChIKey is JYPKEEKYYNCBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c12-15(13,10-8-1-2-9-7-8)11-3-5-14-6-4-11/h8-10H,1-7H2.
What are the key properties of N-pyrrolidin-3-ylmorpholine-4-sulfonamide?
N-pyrrolidin-3-ylmorpholine-4-sulfonamide has a molecular weight of 235.31 g/mol, XLogP of -1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylmorpholine-4-sulfonamide is sourced from PubChem (CID 43602885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).