1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane

C11H25N3O2S — CID 114107692

IUPAC1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane
SMILESCCC1(CNS(=O)(=O)N(C)CCCN)CCC1
InChIInChI=1S/C11H25N3O2S/c1-3-11(6-4-7-11)10-13-17(15,16)14(2)9-5-8-12/h13H,3-10,12H2,1-2H3
InChIKeyYHBOFHJLTPNWTM-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.68
Rot. Bonds8

About 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane

1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane (PubChem CID 114107692) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane.

Molecular Properties

Compound Name1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane
PubChem CID114107692
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane
SMILESCCC1(CNS(=O)(=O)N(C)CCCN)CCC1
InChIInChI=1S/C11H25N3O2S/c1-3-11(6-4-7-11)10-13-17(15,16)14(2)9-5-8-12/h13H,3-10,12H2,1-2H3
InChIKeyYHBOFHJLTPNWTM-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane?
The IUPAC name of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane (CID 114107692) is 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane.
What is the SMILES notation for 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane?
The canonical SMILES for 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane is CCC1(CNS(=O)(=O)N(C)CCCN)CCC1.
What is the InChIKey of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane?
The InChIKey is YHBOFHJLTPNWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-11(6-4-7-11)10-13-17(15,16)14(2)9-5-8-12/h13H,3-10,12H2,1-2H3.
What are the key properties of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane?
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane has a molecular weight of 263.41 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-ethylcyclobutane is sourced from PubChem (CID 114107692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).