2-methyl-1-[2-(sulfamoylamino)ethylamino]propane

C6H17N3O2S — CID 59709355

IUPAC2-methyl-1-[2-(sulfamoylamino)ethylamino]propane
SMILESCC(C)CNCCNS(N)(=O)=O
InChIInChI=1S/C6H17N3O2S/c1-6(2)5-8-3-4-9-12(7,10)11/h6,8-9H,3-5H2,1-2H3,(H2,7,10,11)
InChIKeySMJXOFFFVHBOSD-UHFFFAOYSA-N
MW195.29 g/mol
LogP-0.97
Rot. Bonds6

About 2-methyl-1-[2-(sulfamoylamino)ethylamino]propane

2-methyl-1-[2-(sulfamoylamino)ethylamino]propane (PubChem CID 59709355) has the molecular formula C6H17N3O2S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-methyl-1-[2-(sulfamoylamino)ethylamino]propane.

Molecular Properties

Compound Name2-methyl-1-[2-(sulfamoylamino)ethylamino]propane
PubChem CID59709355
Molecular FormulaC6H17N3O2S
Molecular Weight195.29 g/mol
Exact Mass195.10
IUPAC Name2-methyl-1-[2-(sulfamoylamino)ethylamino]propane
SMILESCC(C)CNCCNS(N)(=O)=O
InChIInChI=1S/C6H17N3O2S/c1-6(2)5-8-3-4-9-12(7,10)11/h6,8-9H,3-5H2,1-2H3,(H2,7,10,11)
InChIKeySMJXOFFFVHBOSD-UHFFFAOYSA-N
XLogP-0.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methyl-1-[2-(sulfamoylamino)ethylamino]propane?
The IUPAC name of 2-methyl-1-[2-(sulfamoylamino)ethylamino]propane (CID 59709355) is 2-methyl-1-[2-(sulfamoylamino)ethylamino]propane.
What is the SMILES notation for 2-methyl-1-[2-(sulfamoylamino)ethylamino]propane?
The canonical SMILES for 2-methyl-1-[2-(sulfamoylamino)ethylamino]propane is CC(C)CNCCNS(N)(=O)=O.
What is the InChIKey of 2-methyl-1-[2-(sulfamoylamino)ethylamino]propane?
The InChIKey is SMJXOFFFVHBOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2S/c1-6(2)5-8-3-4-9-12(7,10)11/h6,8-9H,3-5H2,1-2H3,(H2,7,10,11).
What are the key properties of 2-methyl-1-[2-(sulfamoylamino)ethylamino]propane?
2-methyl-1-[2-(sulfamoylamino)ethylamino]propane has a molecular weight of 195.29 g/mol, XLogP of -0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(sulfamoylamino)ethylamino]propane is sourced from PubChem (CID 59709355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).