1-(ethylsulfamoylamino)-4-methylpentan-2-ol

C8H20N2O3S — CID 103834316

IUPAC1-(ethylsulfamoylamino)-4-methylpentan-2-ol
SMILESCCNS(=O)(=O)NCC(O)CC(C)C
InChIInChI=1S/C8H20N2O3S/c1-4-9-14(12,13)10-6-8(11)5-7(2)3/h7-11H,4-6H2,1-3H3
InChIKeyQWDXPDBYKOEKPM-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.16
Rot. Bonds7

About 1-(ethylsulfamoylamino)-4-methylpentan-2-ol

1-(ethylsulfamoylamino)-4-methylpentan-2-ol (PubChem CID 103834316) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(ethylsulfamoylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(ethylsulfamoylamino)-4-methylpentan-2-ol
PubChem CID103834316
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name1-(ethylsulfamoylamino)-4-methylpentan-2-ol
SMILESCCNS(=O)(=O)NCC(O)CC(C)C
InChIInChI=1S/C8H20N2O3S/c1-4-9-14(12,13)10-6-8(11)5-7(2)3/h7-11H,4-6H2,1-3H3
InChIKeyQWDXPDBYKOEKPM-UHFFFAOYSA-N
XLogP-0.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfamoylamino)-4-methylpentan-2-ol?
The IUPAC name of 1-(ethylsulfamoylamino)-4-methylpentan-2-ol (CID 103834316) is 1-(ethylsulfamoylamino)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(ethylsulfamoylamino)-4-methylpentan-2-ol?
The canonical SMILES for 1-(ethylsulfamoylamino)-4-methylpentan-2-ol is CCNS(=O)(=O)NCC(O)CC(C)C.
What is the InChIKey of 1-(ethylsulfamoylamino)-4-methylpentan-2-ol?
The InChIKey is QWDXPDBYKOEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-4-9-14(12,13)10-6-8(11)5-7(2)3/h7-11H,4-6H2,1-3H3.
What are the key properties of 1-(ethylsulfamoylamino)-4-methylpentan-2-ol?
1-(ethylsulfamoylamino)-4-methylpentan-2-ol has a molecular weight of 224.33 g/mol, XLogP of -0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfamoylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 103834316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).