3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane

C9H23N3O2S — CID 91659860

IUPAC3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
SMILESCCN(C)S(=O)(=O)NCC(N)(CC)CC
InChIInChI=1S/C9H23N3O2S/c1-5-9(10,6-2)8-11-15(13,14)12(4)7-3/h11H,5-8,10H2,1-4H3
InChIKeyPCHANEHBDURBLH-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.29
Rot. Bonds7

About 3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane

3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane (PubChem CID 91659860) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane.

Molecular Properties

Compound Name3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
PubChem CID91659860
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
SMILESCCN(C)S(=O)(=O)NCC(N)(CC)CC
InChIInChI=1S/C9H23N3O2S/c1-5-9(10,6-2)8-11-15(13,14)12(4)7-3/h11H,5-8,10H2,1-4H3
InChIKeyPCHANEHBDURBLH-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane?
The IUPAC name of 3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane (CID 91659860) is 3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane.
What is the SMILES notation for 3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane?
The canonical SMILES for 3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane is CCN(C)S(=O)(=O)NCC(N)(CC)CC.
What is the InChIKey of 3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane?
The InChIKey is PCHANEHBDURBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-5-9(10,6-2)8-11-15(13,14)12(4)7-3/h11H,5-8,10H2,1-4H3.
What are the key properties of 3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane?
3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane has a molecular weight of 237.37 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane is sourced from PubChem (CID 91659860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).