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

C9H23N3O2S — CID 114810886

IUPAC1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-7(2)8(10)6-11-15(13,14)12-9(3,4)5/h7-8,11-12H,6,10H2,1-5H3
InChIKeyVABIPCLQRYRIOM-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.19
Rot. Bonds5

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

1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine (PubChem CID 114810886) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
PubChem CID114810886
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-7(2)8(10)6-11-15(13,14)12-9(3,4)5/h7-8,11-12H,6,10H2,1-5H3
InChIKeyVABIPCLQRYRIOM-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

N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
1-(tert-butylsulfamoylamino)propan-2-ol
CID 104538434
3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
1-N-(cyclopropylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810889
3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978430
N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103829022
N'-(tert-butylsulfamoyl)-N-methylmethanediamine
CID 117126162
1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
CID 114811352
2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114804054
N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
CID 114810641
2-amino-3-ethyl-1-(sulfamoylamino)pentane
CID 106286827
N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine
CID 106251175

Frequently Asked Questions

What is the IUPAC name of 1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine (CID 114810886) is 1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine is CC(C)C(N)CNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine?
The InChIKey is VABIPCLQRYRIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-7(2)8(10)6-11-15(13,14)12-9(3,4)5/h7-8,11-12H,6,10H2,1-5H3.
What are the key properties of 1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine?
1-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 1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 114810886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).