3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol

C9H22N2O3S — CID 103835119

IUPAC3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol
SMILESCCNS(=O)(=O)NCC(O)C(CC)CC
InChIInChI=1S/C9H22N2O3S/c1-4-8(5-2)9(12)7-11-15(13,14)10-6-3/h8-12H,4-7H2,1-3H3
InChIKeySOEZQHOVFPATBP-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.23
Rot. Bonds8

About 3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol

3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol (PubChem CID 103835119) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol
PubChem CID103835119
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol
SMILESCCNS(=O)(=O)NCC(O)C(CC)CC
InChIInChI=1S/C9H22N2O3S/c1-4-8(5-2)9(12)7-11-15(13,14)10-6-3/h8-12H,4-7H2,1-3H3
InChIKeySOEZQHOVFPATBP-UHFFFAOYSA-N
XLogP0.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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-ethyl-1-(ethylsulfamoylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol (CID 103835119) is 3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol is CCNS(=O)(=O)NCC(O)C(CC)CC.
What is the InChIKey of 3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol?
The InChIKey is SOEZQHOVFPATBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-4-8(5-2)9(12)7-11-15(13,14)10-6-3/h8-12H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol?
3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(ethylsulfamoylamino)pentan-2-ol is sourced from PubChem (CID 103835119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).