3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane

C8H21N3O2S — CID 61123565

IUPAC3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane
SMILESCCC(CC)(CN)NS(=O)(=O)N(C)C
InChIInChI=1S/C8H21N3O2S/c1-5-8(6-2,7-9)10-14(12,13)11(3)4/h10H,5-7,9H2,1-4H3
InChIKeySZVBZOYKZBOHBE-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.10
Rot. Bonds6

About 3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane

3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane (PubChem CID 61123565) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane.

Molecular Properties

Compound Name3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane
PubChem CID61123565
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane
SMILESCCC(CC)(CN)NS(=O)(=O)N(C)C
InChIInChI=1S/C8H21N3O2S/c1-5-8(6-2,7-9)10-14(12,13)11(3)4/h10H,5-7,9H2,1-4H3
InChIKeySZVBZOYKZBOHBE-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

[(2-Amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane
CID 86780419
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
N-(2-amino-2-ethylbutyl)piperidine-1-sulfonamide
CID 91645913
3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
2-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 113637452
2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803669
1,1-Dimethyl-2-[(dimethylamino)sulfonylamino]ethylamine
CID 13603865
(2R)-2-(dimethylsulfamoylamino)-4-methylpentane
CID 58923230
1-Amino-2-(dimethylsulfamoylamino)-2-methylpropane
CID 61124368
2-Amino-1-(dimethylsulfamoylamino)-3,3-dimethylbutane
CID 89148987
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclopentane
CID 28940502

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane?
The IUPAC name of 3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane (CID 61123565) is 3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane.
What is the SMILES notation for 3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane?
The canonical SMILES for 3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane is CCC(CC)(CN)NS(=O)(=O)N(C)C.
What is the InChIKey of 3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane?
The InChIKey is SZVBZOYKZBOHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-5-8(6-2,7-9)10-14(12,13)11(3)4/h10H,5-7,9H2,1-4H3.
What are the key properties of 3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane?
3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane has a molecular weight of 223.34 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 3-(aminomethyl)-3-(dimethylsulfamoylamino)pentane is sourced from PubChem (CID 61123565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).