dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium

C14H28NS+ — CID 163587618

IUPACdimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium
SMILESCC(C)C1C=C1N(C)CC(C(C)C)[S+](C)C
InChIInChI=1S/C14H28NS/c1-10(2)12-8-13(12)15(5)9-14(11(3)4)16(6)7/h8,10-12,14H,9H2,1-7H3/q+1
InChIKeyGMUPCHPLHYFPLU-UHFFFAOYSA-N
MW242.45 g/mol
LogP2.99
Rot. Bonds6

About dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium

dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium (PubChem CID 163587618) has the molecular formula C14H28NS+ and a molecular weight of 242.45 g/mol. Its IUPAC name is dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium.

Molecular Properties

Compound Namedimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium
PubChem CID163587618
Molecular FormulaC14H28NS+
Molecular Weight242.45 g/mol
Exact Mass242.19
IUPAC Namedimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium
SMILESCC(C)C1C=C1N(C)CC(C(C)C)[S+](C)C
InChIInChI=1S/C14H28NS/c1-10(2)12-8-13(12)15(5)9-14(11(3)4)16(6)7/h8,10-12,14H,9H2,1-7H3/q+1
InChIKeyGMUPCHPLHYFPLU-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium?
The IUPAC name of dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium (CID 163587618) is dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium.
What is the SMILES notation for dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium?
The canonical SMILES for dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium is CC(C)C1C=C1N(C)CC(C(C)C)[S+](C)C.
What is the InChIKey of dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium?
The InChIKey is GMUPCHPLHYFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NS/c1-10(2)12-8-13(12)15(5)9-14(11(3)4)16(6)7/h8,10-12,14H,9H2,1-7H3/q+1.
What are the key properties of dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium?
dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium has a molecular weight of 242.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium is sourced from PubChem (CID 163587618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).