3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol

C9H22N2O3S — CID 103833764

IUPAC3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol
SMILESCCNS(=O)(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C9H22N2O3S/c1-5-10-15(13,14)11-8(6-7-12)9(2,3)4/h8,10-12H,5-7H2,1-4H3
InChIKeyALJOHOYVOXKCIM-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.23
Rot. Bonds6

About 3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol

3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol (PubChem CID 103833764) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol
PubChem CID103833764
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol
SMILESCCNS(=O)(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C9H22N2O3S/c1-5-10-15(13,14)11-8(6-7-12)9(2,3)4/h8,10-12H,5-7H2,1-4H3
InChIKeyALJOHOYVOXKCIM-UHFFFAOYSA-N
XLogP0.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol (CID 103833764) is 3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol is CCNS(=O)(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of 3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is ALJOHOYVOXKCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-5-10-15(13,14)11-8(6-7-12)9(2,3)4/h8,10-12H,5-7H2,1-4H3.
What are the key properties of 3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol?
3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103833764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).