3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride

C10H24ClN3O4S — CID 119967262

IUPAC3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)NC1CCNC1.Cl
InChIInChI=1S/C10H23N3O4S.ClH/c1-16-7-5-13(6-8-17-2)18(14,15)12-10-3-4-11-9-10;/h10-12H,3-9H2,1-2H3;1H
InChIKeyWOELIXBCKPLBOX-UHFFFAOYSA-N
MW317.84 g/mol
LogP-0.80
Rot. Bonds9

About 3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride

3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride (PubChem CID 119967262) has the molecular formula C10H24ClN3O4S and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride
PubChem CID119967262
Molecular FormulaC10H24ClN3O4S
Molecular Weight317.84 g/mol
Exact Mass317.12
IUPAC Name3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)NC1CCNC1.Cl
InChIInChI=1S/C10H23N3O4S.ClH/c1-16-7-5-13(6-8-17-2)18(14,15)12-10-3-4-11-9-10;/h10-12H,3-9H2,1-2H3;1H
InChIKeyWOELIXBCKPLBOX-UHFFFAOYSA-N
XLogP-0.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride?
The IUPAC name of 3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride (CID 119967262) is 3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride is COCCN(CCOC)S(=O)(=O)NC1CCNC1.Cl.
What is the InChIKey of 3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride?
The InChIKey is WOELIXBCKPLBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O4S.ClH/c1-16-7-5-13(6-8-17-2)18(14,15)12-10-3-4-11-9-10;/h10-12H,3-9H2,1-2H3;1H.
What are the key properties of 3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride?
3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride has a molecular weight of 317.84 g/mol, XLogP of -0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride is sourced from PubChem (CID 119967262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).