1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane

C8H21N3O2S — CID 87272150

IUPAC1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane
SMILESCNCCCCN(C(C)C)S(N)(=O)=O
InChIInChI=1S/C8H21N3O2S/c1-8(2)11(14(9,12)13)7-5-4-6-10-3/h8,10H,4-7H2,1-3H3,(H2,9,12,13)
InChIKeyCASBINCLILPZDC-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.10
Rot. Bonds7

About 1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane

1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane (PubChem CID 87272150) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane.

Molecular Properties

Compound Name1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane
PubChem CID87272150
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane
SMILESCNCCCCN(C(C)C)S(N)(=O)=O
InChIInChI=1S/C8H21N3O2S/c1-8(2)11(14(9,12)13)7-5-4-6-10-3/h8,10H,4-7H2,1-3H3,(H2,9,12,13)
InChIKeyCASBINCLILPZDC-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
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 1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane?
The IUPAC name of 1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane (CID 87272150) is 1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane.
What is the SMILES notation for 1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane?
The canonical SMILES for 1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane is CNCCCCN(C(C)C)S(N)(=O)=O.
What is the InChIKey of 1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane?
The InChIKey is CASBINCLILPZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-8(2)11(14(9,12)13)7-5-4-6-10-3/h8,10H,4-7H2,1-3H3,(H2,9,12,13).
What are the key properties of 1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane?
1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane has a molecular weight of 223.34 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-4-[propan-2-yl(sulfamoyl)amino]butane is sourced from PubChem (CID 87272150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).