dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium

C8H19N2S+ — CID 87895845

IUPACdimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium
SMILESCSC(N(C)C(C)C)=[N+](C)C
InChIInChI=1S/C8H19N2S/c1-7(2)10(5)8(11-6)9(3)4/h7H,1-6H3/q+1
InChIKeyXIAIVKHRRMNICQ-UHFFFAOYSA-N
MW175.32 g/mol
LogP1.32
Rot. Bonds1

About dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium

dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium (PubChem CID 87895845) has the molecular formula C8H19N2S+ and a molecular weight of 175.32 g/mol. Its IUPAC name is dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium.

Molecular Properties

Compound Namedimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium
PubChem CID87895845
Molecular FormulaC8H19N2S+
Molecular Weight175.32 g/mol
Exact Mass175.13
IUPAC Namedimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium
SMILESCSC(N(C)C(C)C)=[N+](C)C
InChIInChI=1S/C8H19N2S/c1-7(2)10(5)8(11-6)9(3)4/h7H,1-6H3/q+1
InChIKeyXIAIVKHRRMNICQ-UHFFFAOYSA-N
XLogP1.32
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium?
The IUPAC name of dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium (CID 87895845) is dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium.
What is the SMILES notation for dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium?
The canonical SMILES for dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium is CSC(N(C)C(C)C)=[N+](C)C.
What is the InChIKey of dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium?
The InChIKey is XIAIVKHRRMNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2S/c1-7(2)10(5)8(11-6)9(3)4/h7H,1-6H3/q+1.
What are the key properties of dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium?
dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium has a molecular weight of 175.32 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]azanium is sourced from PubChem (CID 87895845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).