3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane

C10H25N3O2S — CID 61455984

IUPAC3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
SMILESCCC(CC)(CN)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C10H25N3O2S/c1-6-10(7-2,8-11)12-16(14,15)13(5)9(3)4/h9,12H,6-8,11H2,1-5H3
InChIKeyPPSCTYQKIDIKGC-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.68
Rot. Bonds7

About 3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane

3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane (PubChem CID 61455984) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane.

Molecular Properties

Compound Name3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
PubChem CID61455984
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Name3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
SMILESCCC(CC)(CN)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C10H25N3O2S/c1-6-10(7-2,8-11)12-16(14,15)13(5)9(3)4/h9,12H,6-8,11H2,1-5H3
InChIKeyPPSCTYQKIDIKGC-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane?
The IUPAC name of 3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane (CID 61455984) is 3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane.
What is the SMILES notation for 3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane?
The canonical SMILES for 3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane is CCC(CC)(CN)NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane?
The InChIKey is PPSCTYQKIDIKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-6-10(7-2,8-11)12-16(14,15)13(5)9(3)4/h9,12H,6-8,11H2,1-5H3.
What are the key properties of 3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane?
3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane has a molecular weight of 251.40 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane is sourced from PubChem (CID 61455984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).