2-methyliminohexane-3-sulfonamide

C7H16N2O2S — CID 123664904

IUPAC2-methyliminohexane-3-sulfonamide
SMILESCCCC(/C(C)=N/C)S(N)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-4-5-7(6(2)9-3)12(8,10)11/h7H,4-5H2,1-3H3,(H2,8,10,11)/b9-6+
InChIKeyPMQYUMJTJJKWCP-RMKNXTFCSA-N
MW192.28 g/mol
LogP0.53
Rot. Bonds4

About 2-methyliminohexane-3-sulfonamide

2-methyliminohexane-3-sulfonamide (PubChem CID 123664904) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-methyliminohexane-3-sulfonamide.

Molecular Properties

Compound Name2-methyliminohexane-3-sulfonamide
PubChem CID123664904
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-methyliminohexane-3-sulfonamide
SMILESCCCC(/C(C)=N/C)S(N)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-4-5-7(6(2)9-3)12(8,10)11/h7H,4-5H2,1-3H3,(H2,8,10,11)/b9-6+
InChIKeyPMQYUMJTJJKWCP-RMKNXTFCSA-N
XLogP0.53
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyliminohexane-3-sulfonamide?
The IUPAC name of 2-methyliminohexane-3-sulfonamide (CID 123664904) is 2-methyliminohexane-3-sulfonamide.
What is the SMILES notation for 2-methyliminohexane-3-sulfonamide?
The canonical SMILES for 2-methyliminohexane-3-sulfonamide is CCCC(/C(C)=N/C)S(N)(=O)=O.
What is the InChIKey of 2-methyliminohexane-3-sulfonamide?
The InChIKey is PMQYUMJTJJKWCP-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-4-5-7(6(2)9-3)12(8,10)11/h7H,4-5H2,1-3H3,(H2,8,10,11)/b9-6+.
What are the key properties of 2-methyliminohexane-3-sulfonamide?
2-methyliminohexane-3-sulfonamide has a molecular weight of 192.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliminohexane-3-sulfonamide is sourced from PubChem (CID 123664904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).