2,2-dimethyl-1-(sulfamoylamino)heptane

C9H22N2O2S — CID 112698292

IUPAC2,2-dimethyl-1-(sulfamoylamino)heptane
SMILESCCCCCC(C)(C)CNS(N)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-4-5-6-7-9(2,3)8-11-14(10,12)13/h11H,4-8H2,1-3H3,(H2,10,12,13)
InChIKeyCONSTFLNYZJJLZ-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.39
Rot. Bonds7

About 2,2-dimethyl-1-(sulfamoylamino)heptane

2,2-dimethyl-1-(sulfamoylamino)heptane (PubChem CID 112698292) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(sulfamoylamino)heptane.

Molecular Properties

Compound Name2,2-dimethyl-1-(sulfamoylamino)heptane
PubChem CID112698292
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name2,2-dimethyl-1-(sulfamoylamino)heptane
SMILESCCCCCC(C)(C)CNS(N)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-4-5-6-7-9(2,3)8-11-14(10,12)13/h11H,4-8H2,1-3H3,(H2,10,12,13)
InChIKeyCONSTFLNYZJJLZ-UHFFFAOYSA-N
XLogP1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(sulfamoylamino)heptane?
The IUPAC name of 2,2-dimethyl-1-(sulfamoylamino)heptane (CID 112698292) is 2,2-dimethyl-1-(sulfamoylamino)heptane.
What is the SMILES notation for 2,2-dimethyl-1-(sulfamoylamino)heptane?
The canonical SMILES for 2,2-dimethyl-1-(sulfamoylamino)heptane is CCCCCC(C)(C)CNS(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-1-(sulfamoylamino)heptane?
The InChIKey is CONSTFLNYZJJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-4-5-6-7-9(2,3)8-11-14(10,12)13/h11H,4-8H2,1-3H3,(H2,10,12,13).
What are the key properties of 2,2-dimethyl-1-(sulfamoylamino)heptane?
2,2-dimethyl-1-(sulfamoylamino)heptane has a molecular weight of 222.35 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(sulfamoylamino)heptane is sourced from PubChem (CID 112698292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).