1-methoxy-4-(propylsulfamoylamino)butan-2-ol

C8H20N2O4S — CID 106245248

IUPAC1-methoxy-4-(propylsulfamoylamino)butan-2-ol
SMILESCCCNS(=O)(=O)NCCC(O)COC
InChIInChI=1S/C8H20N2O4S/c1-3-5-9-15(12,13)10-6-4-8(11)7-14-2/h8-11H,3-7H2,1-2H3
InChIKeyIBRUZKMEJNQVKV-UHFFFAOYSA-N
MW240.32 g/mol
LogP-0.78
Rot. Bonds9

About 1-methoxy-4-(propylsulfamoylamino)butan-2-ol

1-methoxy-4-(propylsulfamoylamino)butan-2-ol (PubChem CID 106245248) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-methoxy-4-(propylsulfamoylamino)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-(propylsulfamoylamino)butan-2-ol
PubChem CID106245248
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC Name1-methoxy-4-(propylsulfamoylamino)butan-2-ol
SMILESCCCNS(=O)(=O)NCCC(O)COC
InChIInChI=1S/C8H20N2O4S/c1-3-5-9-15(12,13)10-6-4-8(11)7-14-2/h8-11H,3-7H2,1-2H3
InChIKeyIBRUZKMEJNQVKV-UHFFFAOYSA-N
XLogP-0.78
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(propylsulfamoylamino)butan-2-ol?
The IUPAC name of 1-methoxy-4-(propylsulfamoylamino)butan-2-ol (CID 106245248) is 1-methoxy-4-(propylsulfamoylamino)butan-2-ol.
What is the SMILES notation for 1-methoxy-4-(propylsulfamoylamino)butan-2-ol?
The canonical SMILES for 1-methoxy-4-(propylsulfamoylamino)butan-2-ol is CCCNS(=O)(=O)NCCC(O)COC.
What is the InChIKey of 1-methoxy-4-(propylsulfamoylamino)butan-2-ol?
The InChIKey is IBRUZKMEJNQVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S/c1-3-5-9-15(12,13)10-6-4-8(11)7-14-2/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-methoxy-4-(propylsulfamoylamino)butan-2-ol?
1-methoxy-4-(propylsulfamoylamino)butan-2-ol has a molecular weight of 240.32 g/mol, XLogP of -0.78, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(propylsulfamoylamino)butan-2-ol is sourced from PubChem (CID 106245248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).