3-(tert-butylsulfamoylamino)-2-methylpropanenitrile

C8H17N3O2S — CID 104538456

IUPAC3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
SMILESCC(C#N)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17N3O2S/c1-7(5-9)6-10-14(12,13)11-8(2,3)4/h7,10-11H,6H2,1-4H3
InChIKeyFJWJLVZTGHXJLH-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.37
Rot. Bonds4

About 3-(tert-butylsulfamoylamino)-2-methylpropanenitrile

3-(tert-butylsulfamoylamino)-2-methylpropanenitrile (PubChem CID 104538456) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(tert-butylsulfamoylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
PubChem CID104538456
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
SMILESCC(C#N)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17N3O2S/c1-7(5-9)6-10-14(12,13)11-8(2,3)4/h7,10-11H,6H2,1-4H3
InChIKeyFJWJLVZTGHXJLH-UHFFFAOYSA-N
XLogP0.37
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylsulfamoylamino)propanenitrile
CID 114807843
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
1-(tert-butylsulfamoylamino)propan-2-ol
CID 104538434
1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810886
5-(tert-butylsulfamoylamino)pentanenitrile
CID 114807938
N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290096
3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978430
N'-(tert-butylsulfamoyl)-N-methylmethanediamine
CID 117126162
1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
CID 114811352
N-(2-cyanopropyl)cyclohexanesulfonamide
CID 62651123
3-[(2-amino-2-methylpropyl)amino]-2-methylpropanenitrile
CID 130588939
N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
CID 114810641

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoylamino)-2-methylpropanenitrile?
The IUPAC name of 3-(tert-butylsulfamoylamino)-2-methylpropanenitrile (CID 104538456) is 3-(tert-butylsulfamoylamino)-2-methylpropanenitrile.
What is the SMILES notation for 3-(tert-butylsulfamoylamino)-2-methylpropanenitrile?
The canonical SMILES for 3-(tert-butylsulfamoylamino)-2-methylpropanenitrile is CC(C#N)CNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoylamino)-2-methylpropanenitrile?
The InChIKey is FJWJLVZTGHXJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-7(5-9)6-10-14(12,13)11-8(2,3)4/h7,10-11H,6H2,1-4H3.
What are the key properties of 3-(tert-butylsulfamoylamino)-2-methylpropanenitrile?
3-(tert-butylsulfamoylamino)-2-methylpropanenitrile has a molecular weight of 219.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoylamino)-2-methylpropanenitrile is sourced from PubChem (CID 104538456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).