3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane

C7H18N2O3S — CID 103657859

IUPAC3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane
SMILESCCC(CC)C(O)CNS(N)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-3-6(4-2)7(10)5-9-13(8,11)12/h6-7,9-10H,3-5H2,1-2H3,(H2,8,11,12)
InChIKeyHOLDISQGAWUNDP-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.42
Rot. Bonds6

About 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane

3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane (PubChem CID 103657859) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane
PubChem CID103657859
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane
SMILESCCC(CC)C(O)CNS(N)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-3-6(4-2)7(10)5-9-13(8,11)12/h6-7,9-10H,3-5H2,1-2H3,(H2,8,11,12)
InChIKeyHOLDISQGAWUNDP-UHFFFAOYSA-N
XLogP-0.42
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane?
The IUPAC name of 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane (CID 103657859) is 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane.
What is the SMILES notation for 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane?
The canonical SMILES for 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane is CCC(CC)C(O)CNS(N)(=O)=O.
What is the InChIKey of 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane?
The InChIKey is HOLDISQGAWUNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-3-6(4-2)7(10)5-9-13(8,11)12/h6-7,9-10H,3-5H2,1-2H3,(H2,8,11,12).
What are the key properties of 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane?
3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane has a molecular weight of 210.30 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-1-(sulfamoylamino)pentane is sourced from PubChem (CID 103657859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).