3-hydroxy-5-methylheptane-1-sulfonamide

C8H19NO3S — CID 88890803

IUPAC3-hydroxy-5-methylheptane-1-sulfonamide
SMILESCCC(C)CC(O)CCS(N)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-3-7(2)6-8(10)4-5-13(9,11)12/h7-8,10H,3-6H2,1-2H3,(H2,9,11,12)
InChIKeyNXNQJJZLEDKIMH-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.46
Rot. Bonds6

About 3-hydroxy-5-methylheptane-1-sulfonamide

3-hydroxy-5-methylheptane-1-sulfonamide (PubChem CID 88890803) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-hydroxy-5-methylheptane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-5-methylheptane-1-sulfonamide
PubChem CID88890803
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name3-hydroxy-5-methylheptane-1-sulfonamide
SMILESCCC(C)CC(O)CCS(N)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-3-7(2)6-8(10)4-5-13(9,11)12/h7-8,10H,3-6H2,1-2H3,(H2,9,11,12)
InChIKeyNXNQJJZLEDKIMH-UHFFFAOYSA-N
XLogP0.46
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methylheptane-1-sulfonamide?
The IUPAC name of 3-hydroxy-5-methylheptane-1-sulfonamide (CID 88890803) is 3-hydroxy-5-methylheptane-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-5-methylheptane-1-sulfonamide?
The canonical SMILES for 3-hydroxy-5-methylheptane-1-sulfonamide is CCC(C)CC(O)CCS(N)(=O)=O.
What is the InChIKey of 3-hydroxy-5-methylheptane-1-sulfonamide?
The InChIKey is NXNQJJZLEDKIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-3-7(2)6-8(10)4-5-13(9,11)12/h7-8,10H,3-6H2,1-2H3,(H2,9,11,12).
What are the key properties of 3-hydroxy-5-methylheptane-1-sulfonamide?
3-hydroxy-5-methylheptane-1-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methylheptane-1-sulfonamide is sourced from PubChem (CID 88890803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).