2-(tert-butylsulfamoylamino)acetonitrile

C6H13N3O2S — CID 114807655

IUPAC2-(tert-butylsulfamoylamino)acetonitrile
SMILESCC(C)(C)NS(=O)(=O)NCC#N
InChIInChI=1S/C6H13N3O2S/c1-6(2,3)9-12(10,11)8-5-4-7/h8-9H,5H2,1-3H3
InChIKeyXDXJMKCUZHMUBA-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.27
Rot. Bonds3

About 2-(tert-butylsulfamoylamino)acetonitrile

2-(tert-butylsulfamoylamino)acetonitrile (PubChem CID 114807655) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)acetonitrile.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)acetonitrile
PubChem CID114807655
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-(tert-butylsulfamoylamino)acetonitrile
SMILESCC(C)(C)NS(=O)(=O)NCC#N
InChIInChI=1S/C6H13N3O2S/c1-6(2,3)9-12(10,11)8-5-4-7/h8-9H,5H2,1-3H3
InChIKeyXDXJMKCUZHMUBA-UHFFFAOYSA-N
XLogP-0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2-Amino-2-methylpropyl)(sulfamoyl)amine hydrochloride
CID 137838176
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
CID 114807663
2-methyl-N-(propan-2-ylsulfamoyl)propan-2-amine
CID 57741188
2-methyl-N-(methylsulfamoyl)propan-2-amine
CID 84284133
N-(ethylsulfamoyl)-2-methylpropan-2-amine
CID 84284134
1-Amino-2-methyl-2-(sulfamoylamino)propane
CID 114958574
2-Methyl-2-(sulfinatoamino)propane;propan-1-amine
CID 159735673
1-Amino-2-methyl-2-(sulfinatoamino)propane
CID 174385664
2-Amino-1-[[cyanomethyl(methyl)sulfamoyl]amino]-2-methylpropane
CID 17860831
2-methyl-N-(propylsulfamoyl)propan-2-amine
CID 84284135
3-(Ethylsulfamoylamino)-2,2-dimethylpropanenitrile
CID 104069480
3-(Tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)acetonitrile?
The IUPAC name of 2-(tert-butylsulfamoylamino)acetonitrile (CID 114807655) is 2-(tert-butylsulfamoylamino)acetonitrile.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)acetonitrile?
The canonical SMILES for 2-(tert-butylsulfamoylamino)acetonitrile is CC(C)(C)NS(=O)(=O)NCC#N.
What is the InChIKey of 2-(tert-butylsulfamoylamino)acetonitrile?
The InChIKey is XDXJMKCUZHMUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-6(2,3)9-12(10,11)8-5-4-7/h8-9H,5H2,1-3H3.
What are the key properties of 2-(tert-butylsulfamoylamino)acetonitrile?
2-(tert-butylsulfamoylamino)acetonitrile has a molecular weight of 191.26 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)acetonitrile is sourced from PubChem (CID 114807655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).