trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium

C11H26NS+ — CID 91488198

IUPACtrimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium
SMILESCCC(C)C(CS)CC[N+](C)(C)C
InChIInChI=1S/C11H25NS/c1-6-10(2)11(9-13)7-8-12(3,4)5/h10-11H,6-9H2,1-5H3/p+1
InChIKeyGJRATLXLENFALY-UHFFFAOYSA-O
MW204.40 g/mol
LogP2.67
Rot. Bonds6

About trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium

trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium (PubChem CID 91488198) has the molecular formula C11H26NS+ and a molecular weight of 204.40 g/mol. Its IUPAC name is trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium
PubChem CID91488198
Molecular FormulaC11H26NS+
Molecular Weight204.40 g/mol
Exact Mass204.18
IUPAC Nametrimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium
SMILESCCC(C)C(CS)CC[N+](C)(C)C
InChIInChI=1S/C11H25NS/c1-6-10(2)11(9-13)7-8-12(3,4)5/h10-11H,6-9H2,1-5H3/p+1
InChIKeyGJRATLXLENFALY-UHFFFAOYSA-O
XLogP2.67
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
(4R)-3-ethyl-4-methylhexane
CID 59954491
3,4-dimethylpentyl(trimethyl)azanium
CID 175623518
3-bromopentyl(trimethyl)azanium bromide
CID 22252045
3-hydroxybutyl(trimethyl)azanium hydroxide
CID 22731873
trimethyl-[1-(trimethylazaniumyl)hexan-3-yl]azanium dichloride
CID 87755334
1-sulfanyl-3-(sulfanylmethyl)pentan-2-ol
CID 155461515
2-(1-hydroxy-2-methylbutoxy)ethyl-trimethylazanium;methane
CID 159618935
trimethyl(7-methylnonyl)azanium
CID 54435403
3-ethyl-4-methylhexan-1-amine
CID 123538643
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
trimethyl-(4-oxo-3-tetradecanoylheptadecyl)azanium
CID 175524922

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium?
The IUPAC name of trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium (CID 91488198) is trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium.
What is the SMILES notation for trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium?
The canonical SMILES for trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium is CCC(C)C(CS)CC[N+](C)(C)C.
What is the InChIKey of trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium?
The InChIKey is GJRATLXLENFALY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H25NS/c1-6-10(2)11(9-13)7-8-12(3,4)5/h10-11H,6-9H2,1-5H3/p+1.
What are the key properties of trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium?
trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium has a molecular weight of 204.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-methyl-3-(sulfanylmethyl)hexyl]azanium is sourced from PubChem (CID 91488198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).