(1-aminocyclohexyl)-dimethylsulfanium

C8H18NS+ — CID 172764845

IUPAC(1-aminocyclohexyl)-dimethylsulfanium
SMILESC[S+](C)C1(N)CCCCC1
InChIInChI=1S/C8H18NS/c1-10(2)8(9)6-4-3-5-7-8/h3-7,9H2,1-2H3/q+1
InChIKeyMEEINCDOBVZUSV-UHFFFAOYSA-N
MW160.31 g/mol
LogP1.48
Rot. Bonds1

About (1-aminocyclohexyl)-dimethylsulfanium

(1-aminocyclohexyl)-dimethylsulfanium (PubChem CID 172764845) has the molecular formula C8H18NS+ and a molecular weight of 160.31 g/mol. Its IUPAC name is (1-aminocyclohexyl)-dimethylsulfanium.

Molecular Properties

Compound Name(1-aminocyclohexyl)-dimethylsulfanium
PubChem CID172764845
Molecular FormulaC8H18NS+
Molecular Weight160.31 g/mol
Exact Mass160.12
IUPAC Name(1-aminocyclohexyl)-dimethylsulfanium
SMILESC[S+](C)C1(N)CCCCC1
InChIInChI=1S/C8H18NS/c1-10(2)8(9)6-4-3-5-7-8/h3-7,9H2,1-2H3/q+1
InChIKeyMEEINCDOBVZUSV-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
carbanide;1-methylcyclohexan-1-amine;vanadium
CID 159436191
cyclohexane-1,1-diamine;platinum(2+)
CID 22338759
1-N'-methylcyclooctane-1,1-diamine
CID 70269680
1-iodocyclotridecan-1-amine
CID 134396656
CID 145159895
CID 145159895
CID 58907693
CID 58907693
1-cyclooctylcyclooctan-1-amine
CID 19973273
1-aminocyclooctane-1-carbothioamide
CID 64981349
1-bis(1-aminocyclohexyl)stibanylcyclohexan-1-amine
CID 23462598
1-methylsulfonylcycloheptan-1-amine
CID 62473091
1-aminocyclohexane-1-carbaldehyde;ethane
CID 145148133

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-dimethylsulfanium?
The IUPAC name of (1-aminocyclohexyl)-dimethylsulfanium (CID 172764845) is (1-aminocyclohexyl)-dimethylsulfanium.
What is the SMILES notation for (1-aminocyclohexyl)-dimethylsulfanium?
The canonical SMILES for (1-aminocyclohexyl)-dimethylsulfanium is C[S+](C)C1(N)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-dimethylsulfanium?
The InChIKey is MEEINCDOBVZUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NS/c1-10(2)8(9)6-4-3-5-7-8/h3-7,9H2,1-2H3/q+1.
What are the key properties of (1-aminocyclohexyl)-dimethylsulfanium?
(1-aminocyclohexyl)-dimethylsulfanium has a molecular weight of 160.31 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-dimethylsulfanium is sourced from PubChem (CID 172764845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).