S-(2,5-dimethylcyclohexyl)thiohydroxylamine

C8H17NS — CID 162727513

IUPACS-(2,5-dimethylcyclohexyl)thiohydroxylamine
SMILESCC1CCC(C)C(SN)C1
InChIInChI=1S/C8H17NS/c1-6-3-4-7(2)8(5-6)10-9/h6-8H,3-5,9H2,1-2H3
InChIKeyZSXQTOKELXKQBU-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.42
Rot. Bonds1

About S-(2,5-dimethylcyclohexyl)thiohydroxylamine

S-(2,5-dimethylcyclohexyl)thiohydroxylamine (PubChem CID 162727513) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is S-(2,5-dimethylcyclohexyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2,5-dimethylcyclohexyl)thiohydroxylamine
PubChem CID162727513
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameS-(2,5-dimethylcyclohexyl)thiohydroxylamine
SMILESCC1CCC(C)C(SN)C1
InChIInChI=1S/C8H17NS/c1-6-3-4-7(2)8(5-6)10-9/h6-8H,3-5,9H2,1-2H3
InChIKeyZSXQTOKELXKQBU-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(disulfanyl)-1,4-dimethylcyclohexane
CID 170968624
(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine
CID 15306003
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
1,2,4,7-tetramethylcyclononane
CID 123661715
2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
CID 91483098
2,5-dimethylcyclohexan-1-amine;hydrobromide
CID 17138988
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
2,4-dimethylcyclohexan-1-amine
CID 14675373
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
2-cyclopentylsulfanyl-4-methylcyclohexan-1-amine
CID 64626744

Frequently Asked Questions

What is the IUPAC name of S-(2,5-dimethylcyclohexyl)thiohydroxylamine?
The IUPAC name of S-(2,5-dimethylcyclohexyl)thiohydroxylamine (CID 162727513) is S-(2,5-dimethylcyclohexyl)thiohydroxylamine.
What is the SMILES notation for S-(2,5-dimethylcyclohexyl)thiohydroxylamine?
The canonical SMILES for S-(2,5-dimethylcyclohexyl)thiohydroxylamine is CC1CCC(C)C(SN)C1.
What is the InChIKey of S-(2,5-dimethylcyclohexyl)thiohydroxylamine?
The InChIKey is ZSXQTOKELXKQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-6-3-4-7(2)8(5-6)10-9/h6-8H,3-5,9H2,1-2H3.
What are the key properties of S-(2,5-dimethylcyclohexyl)thiohydroxylamine?
S-(2,5-dimethylcyclohexyl)thiohydroxylamine has a molecular weight of 159.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2,5-dimethylcyclohexyl)thiohydroxylamine is sourced from PubChem (CID 162727513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).