2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine

C9H23N3O2S — CID 114804054

IUPAC2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-7(2)8(6-10)11-15(13,14)12-9(3,4)5/h7-8,11-12H,6,10H2,1-5H3
InChIKeyZROGRXJLJAWATM-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.19
Rot. Bonds5

About 2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine

2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine (PubChem CID 114804054) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
PubChem CID114804054
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-7(2)8(6-10)11-15(13,14)12-9(3,4)5/h7-8,11-12H,6,10H2,1-5H3
InChIKeyZROGRXJLJAWATM-UHFFFAOYSA-N
XLogP0.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(tert-butylsulfamoyl)pentane-1,3-diamine
CID 114803978
methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate
CID 114811428
1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810886
(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
CID 104977951
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
CID 65192775
(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
CID 104978099
1-(tert-butylsulfamoylamino)propan-2-ol
CID 104538434
(2R)-2-(tert-butylsulfamoylamino)butanedioic acid
CID 104977979
2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089053
2-cyclopropyl-2-N-(propan-2-ylsulfamoyl)propane-1,2-diamine
CID 114811253

Frequently Asked Questions

What is the IUPAC name of 2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine (CID 114804054) is 2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine is CC(C)C(CN)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine?
The InChIKey is ZROGRXJLJAWATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-7(2)8(6-10)11-15(13,14)12-9(3,4)5/h7-8,11-12H,6,10H2,1-5H3.
What are the key properties of 2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine?
2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 114804054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).