2-N-(tert-butylsulfamoyl)pentane-1,2-diamine

C9H23N3O2S — CID 114803691

IUPAC2-N-(tert-butylsulfamoyl)pentane-1,2-diamine
SMILESCCCC(CN)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-5-6-8(7-10)11-15(13,14)12-9(2,3)4/h8,11-12H,5-7,10H2,1-4H3
InChIKeyNVQVRAFRYPVCNV-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.34
Rot. Bonds6

About 2-N-(tert-butylsulfamoyl)pentane-1,2-diamine

2-N-(tert-butylsulfamoyl)pentane-1,2-diamine (PubChem CID 114803691) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-N-(tert-butylsulfamoyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(tert-butylsulfamoyl)pentane-1,2-diamine
PubChem CID114803691
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2-N-(tert-butylsulfamoyl)pentane-1,2-diamine
SMILESCCCC(CN)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-5-6-8(7-10)11-15(13,14)12-9(2,3)4/h8,11-12H,5-7,10H2,1-4H3
InChIKeyNVQVRAFRYPVCNV-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

N-(pentylsulfamoyl)pentan-1-amine
CID 87691893
2-methyl-N-(propan-2-ylsulfamoyl)butan-2-amine
CID 131863190
N-(tert-butylsulfamoyl)cyclohexanamine
CID 15677400
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
N-(propan-2-ylsulfamoyl)cyclopentanamine
CID 57538874
2-methyl-N-(propan-2-ylsulfamoyl)propan-2-amine
CID 57741188
2-(Sulfamoylamino)hexane
CID 87088431
N-(tert-butylsulfamoyl)butan-1-amine
CID 127506138
methane;4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 160469218
N-(methylsulfamoyl)heptan-2-amine
CID 175947660
2-Amino-1-(dimethylsulfamoylamino)-4-methylpentane
CID 43606398
[(1-Amino-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 55161591

Frequently Asked Questions

What is the IUPAC name of 2-N-(tert-butylsulfamoyl)pentane-1,2-diamine?
The IUPAC name of 2-N-(tert-butylsulfamoyl)pentane-1,2-diamine (CID 114803691) is 2-N-(tert-butylsulfamoyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-(tert-butylsulfamoyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-(tert-butylsulfamoyl)pentane-1,2-diamine is CCCC(CN)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-N-(tert-butylsulfamoyl)pentane-1,2-diamine?
The InChIKey is NVQVRAFRYPVCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-5-6-8(7-10)11-15(13,14)12-9(2,3)4/h8,11-12H,5-7,10H2,1-4H3.
What are the key properties of 2-N-(tert-butylsulfamoyl)pentane-1,2-diamine?
2-N-(tert-butylsulfamoyl)pentane-1,2-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(tert-butylsulfamoyl)pentane-1,2-diamine is sourced from PubChem (CID 114803691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).