3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine

C9H23N3O2S — CID 106165269

IUPAC3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine
SMILESCCC(C)(CCN)NS(=O)(=O)NC(C)C
InChIInChI=1S/C9H23N3O2S/c1-5-9(4,6-7-10)12-15(13,14)11-8(2)3/h8,11-12H,5-7,10H2,1-4H3
InChIKeyBCJNWXMZKJPOFO-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.34
Rot. Bonds7

About 3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine

3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine (PubChem CID 106165269) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine
PubChem CID106165269
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine
SMILESCCC(C)(CCN)NS(=O)(=O)NC(C)C
InChIInChI=1S/C9H23N3O2S/c1-5-9(4,6-7-10)12-15(13,14)11-8(2)3/h8,11-12H,5-7,10H2,1-4H3
InChIKeyBCJNWXMZKJPOFO-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
2-methyl-N-(propan-2-ylsulfamoyl)butan-2-amine
CID 131863190
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 106165470
N-(tert-butylsulfamoyl)cyclohexanamine
CID 15677400
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
2,2-dimethyl-N-(2-methylbutan-2-ylsulfamoyl)pentan-1-amine
CID 118180984
3-Methyl-2-(sulfamoylamino)heptane
CID 154426138
methane;4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 160469218
3-(Aminomethyl)-3-(dimethylsulfamoylamino)pentane
CID 61123565
3-(Aminomethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 61455984
2-[[3-Aminopropyl(methyl)sulfamoyl]amino]-3-methylpentane
CID 61464320
2-[[3-Aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane
CID 63844176

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine (CID 106165269) is 3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine is CCC(C)(CCN)NS(=O)(=O)NC(C)C.
What is the InChIKey of 3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine?
The InChIKey is BCJNWXMZKJPOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-5-9(4,6-7-10)12-15(13,14)11-8(2)3/h8,11-12H,5-7,10H2,1-4H3.
What are the key properties of 3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine?
3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine is sourced from PubChem (CID 106165269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).