[[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium

C9H21N2S+ — CID 87895646

IUPAC[[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
SMILESCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C9H21N2S/c1-6-7-8-11(4)9(12-5)10(2)3/h6-8H2,1-5H3/q+1
InChIKeyKIZKDIRFWVKHDS-UHFFFAOYSA-N
MW189.35 g/mol
LogP1.71
Rot. Bonds3

About [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium

[[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium (PubChem CID 87895646) has the molecular formula C9H21N2S+ and a molecular weight of 189.35 g/mol. Its IUPAC name is [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium.

Molecular Properties

Compound Name[[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
PubChem CID87895646
Molecular FormulaC9H21N2S+
Molecular Weight189.35 g/mol
Exact Mass189.14
IUPAC Name[[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium
SMILESCCCCN(C)C(SC)=[N+](C)C
InChIInChI=1S/C9H21N2S/c1-6-7-8-11(4)9(12-5)10(2)3/h6-8H2,1-5H3/q+1
InChIKeyKIZKDIRFWVKHDS-UHFFFAOYSA-N
XLogP1.71
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.71
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'}

Analyze [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
CID 3371191
Methyl-[[methyl(propan-2-yl)amino]-methylsulfanylmethylidene]-propan-2-ylazanium iodide
CID 176442203
2-methylsulfanyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 12504521
methyl N-methylpiperidine-1-carboximidothioate
CID 13034329
methyl N-butyl-N'-cyano-N-methylcarbamimidothioate
CID 19989955
methyl N,N-diethyl-N'-methylcarbamimidothioate
CID 20148710
methyl N,N'-dibutylcarbamimidothioate
CID 20221236
methyl N,N'-dimethyl-N-propylcarbamimidothioate
CID 21718287
Dibutyl-[(dibutylamino)-methylsulfanylmethylidene]azanium chloride
CID 22756149
ethyl N'-cyano-N,N-dipropylcarbamimidothioate
CID 53674436
methyl N'-butyl-N-cyano-N-methylcarbamimidothioate
CID 54388086
methyl N,N'-diethyl-N-methylcarbamimidothioate
CID 57031942

Frequently Asked Questions

What is the IUPAC name of [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The IUPAC name of [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium (CID 87895646) is [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium.
What is the SMILES notation for [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The canonical SMILES for [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium is CCCCN(C)C(SC)=[N+](C)C.
What is the InChIKey of [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
The InChIKey is KIZKDIRFWVKHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2S/c1-6-7-8-11(4)9(12-5)10(2)3/h6-8H2,1-5H3/q+1.
What are the key properties of [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium?
[[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium has a molecular weight of 189.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[butyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium is sourced from PubChem (CID 87895646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).