[tris(dimethylamino)-λ4-sulfanyl] nitrite

C6H18N4O2S — CID 88844972

IUPAC[tris(dimethylamino)-λ4-sulfanyl] nitrite
SMILESCN(C)S(ON=O)(N(C)C)N(C)C
InChIInChI=1S/C6H18N4O2S/c1-8(2)13(9(3)4,10(5)6)12-7-11/h1-6H3
InChIKeyAMCFGXJHWXUIDZ-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.83
Rot. Bonds5

About [tris(dimethylamino)-λ4-sulfanyl] nitrite

[tris(dimethylamino)-λ4-sulfanyl] nitrite (PubChem CID 88844972) has the molecular formula C6H18N4O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is [tris(dimethylamino)-λ4-sulfanyl] nitrite.

Molecular Properties

Compound Name[tris(dimethylamino)-λ4-sulfanyl] nitrite
PubChem CID88844972
Molecular FormulaC6H18N4O2S
Molecular Weight210.30 g/mol
Exact Mass210.12
IUPAC Name[tris(dimethylamino)-λ4-sulfanyl] nitrite
SMILESCN(C)S(ON=O)(N(C)C)N(C)C
InChIInChI=1S/C6H18N4O2S/c1-8(2)13(9(3)4,10(5)6)12-7-11/h1-6H3
InChIKeyAMCFGXJHWXUIDZ-UHFFFAOYSA-N
XLogP0.83
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 174517012
methyl N'-(dimethylsulfamoyl)carbamimidate
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[methyl(sulfamoyl)amino]methane;hydrochloride
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N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine
CID 13349447
N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide
CID 25806
ethyl nitrite
CID 8026
1-methyl-1-nitrosourea;nitrous amide
CID 87568751
dimethylaminomercury
CID 143325098
N-(dimethylamino)-N-oxidonitrous amide
CID 10654235
amino nitrite;propan-2-one
CID 22253428
[chlorosulfonylsulfonyl(methyl)amino]methane
CID 87508798
ethyl nitrite;silver
CID 174852186

Frequently Asked Questions

What is the IUPAC name of [tris(dimethylamino)-λ4-sulfanyl] nitrite?
The IUPAC name of [tris(dimethylamino)-λ4-sulfanyl] nitrite (CID 88844972) is [tris(dimethylamino)-λ4-sulfanyl] nitrite.
What is the SMILES notation for [tris(dimethylamino)-λ4-sulfanyl] nitrite?
The canonical SMILES for [tris(dimethylamino)-λ4-sulfanyl] nitrite is CN(C)S(ON=O)(N(C)C)N(C)C.
What is the InChIKey of [tris(dimethylamino)-λ4-sulfanyl] nitrite?
The InChIKey is AMCFGXJHWXUIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4O2S/c1-8(2)13(9(3)4,10(5)6)12-7-11/h1-6H3.
What are the key properties of [tris(dimethylamino)-λ4-sulfanyl] nitrite?
[tris(dimethylamino)-λ4-sulfanyl] nitrite has a molecular weight of 210.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [tris(dimethylamino)-λ4-sulfanyl] nitrite is sourced from PubChem (CID 88844972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).