1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane

C9H21N3O2S — CID 66004342

IUPAC1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane
SMILESCCN(CC)S(=O)(=O)NCC1CC(N)C1
InChIInChI=1S/C9H21N3O2S/c1-3-12(4-2)15(13,14)11-7-8-5-9(10)6-8/h8-9,11H,3-7,10H2,1-2H3
InChIKeyKLEFLUZQNHLQRA-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.10
Rot. Bonds6

About 1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane

1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane (PubChem CID 66004342) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane.

Molecular Properties

Compound Name1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane
PubChem CID66004342
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane
SMILESCCN(CC)S(=O)(=O)NCC1CC(N)C1
InChIInChI=1S/C9H21N3O2S/c1-3-12(4-2)15(13,14)11-7-8-5-9(10)6-8/h8-9,11H,3-7,10H2,1-2H3
InChIKeyKLEFLUZQNHLQRA-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane?
The IUPAC name of 1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane (CID 66004342) is 1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane.
What is the SMILES notation for 1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane?
The canonical SMILES for 1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane is CCN(CC)S(=O)(=O)NCC1CC(N)C1.
What is the InChIKey of 1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane?
The InChIKey is KLEFLUZQNHLQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-12(4-2)15(13,14)11-7-8-5-9(10)6-8/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane?
1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane has a molecular weight of 235.35 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(diethylsulfamoylamino)methyl]cyclobutane is sourced from PubChem (CID 66004342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).