cyclohexanamine;thiohydroxylamine

C6H16N2S — CID 143520299

IUPACcyclohexanamine;thiohydroxylamine
SMILESNC1CCCCC1.NS
InChIInChI=1S/C6H13N.H3NS/c7-6-4-2-1-3-5-6;1-2/h6H,1-5,7H2;2H,1H2
InChIKeyYETIWTUYGWPTQQ-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.07
Rot. Bonds

About cyclohexanamine;thiohydroxylamine

cyclohexanamine;thiohydroxylamine (PubChem CID 143520299) has the molecular formula C6H16N2S and a molecular weight of 148.27 g/mol. Its IUPAC name is cyclohexanamine;thiohydroxylamine.

Molecular Properties

Compound Namecyclohexanamine;thiohydroxylamine
PubChem CID143520299
Molecular FormulaC6H16N2S
Molecular Weight148.27 g/mol
Exact Mass148.10
IUPAC Namecyclohexanamine;thiohydroxylamine
SMILESNC1CCCCC1.NS
InChIInChI=1S/C6H13N.H3NS/c7-6-4-2-1-3-5-6;1-2/h6H,1-5,7H2;2H,1H2
InChIKeyYETIWTUYGWPTQQ-UHFFFAOYSA-N
XLogP1.07
TPSA52.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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bis(cycloheptanamine);platinum(2+);dichloride
CID 3038593
CID 175698442
CID 175698442
azane;cyclopentanamine
CID 69254255
cyclopentanamine;platinum(2+)
CID 21144800
azane;cyclohexanamine;dichloroplatinum
CID 11603349
cyclohexanamine;ethanol
CID 159108869
5-methylcyclododecan-1-amine
CID 138488786
cyclohexanamine;cyclohexylmethanamine
CID 174974863
cycloheptanamine;ethanol
CID 158239152
(1,2,3-13C3)cyclopropanamine
CID 76972988

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;thiohydroxylamine?
The IUPAC name of cyclohexanamine;thiohydroxylamine (CID 143520299) is cyclohexanamine;thiohydroxylamine.
What is the SMILES notation for cyclohexanamine;thiohydroxylamine?
The canonical SMILES for cyclohexanamine;thiohydroxylamine is NC1CCCCC1.NS.
What is the InChIKey of cyclohexanamine;thiohydroxylamine?
The InChIKey is YETIWTUYGWPTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.H3NS/c7-6-4-2-1-3-5-6;1-2/h6H,1-5,7H2;2H,1H2.
What are the key properties of cyclohexanamine;thiohydroxylamine?
cyclohexanamine;thiohydroxylamine has a molecular weight of 148.27 g/mol, XLogP of 1.07, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;thiohydroxylamine is sourced from PubChem (CID 143520299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).