6-amino-3-methoxycyclohex-2-ene-1-thione

C7H11NOS — CID 123529249

IUPAC6-amino-3-methoxycyclohex-2-ene-1-thione
SMILESCOC1=CC(=S)C(N)CC1
InChIInChI=1S/C7H11NOS/c1-9-5-2-3-6(8)7(10)4-5/h4,6H,2-3,8H2,1H3
InChIKeyULOLLNZIHYRVLM-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.01
Rot. Bonds1

About 6-amino-3-methoxycyclohex-2-ene-1-thione

6-amino-3-methoxycyclohex-2-ene-1-thione (PubChem CID 123529249) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 6-amino-3-methoxycyclohex-2-ene-1-thione.

Molecular Properties

Compound Name6-amino-3-methoxycyclohex-2-ene-1-thione
PubChem CID123529249
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name6-amino-3-methoxycyclohex-2-ene-1-thione
SMILESCOC1=CC(=S)C(N)CC1
InChIInChI=1S/C7H11NOS/c1-9-5-2-3-6(8)7(10)4-5/h4,6H,2-3,8H2,1H3
InChIKeyULOLLNZIHYRVLM-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-Amino-3-methoxycyclohex-3-ene-1-thiol
CID 88574749
4-Methoxycyclohex-3-en-1-amine
CID 89153912
4-Ethoxycyclohex-3-en-1-amine
CID 142399307
3-Methoxycyclohex-3-en-1-amine
CID 147827210

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methoxycyclohex-2-ene-1-thione?
The IUPAC name of 6-amino-3-methoxycyclohex-2-ene-1-thione (CID 123529249) is 6-amino-3-methoxycyclohex-2-ene-1-thione.
What is the SMILES notation for 6-amino-3-methoxycyclohex-2-ene-1-thione?
The canonical SMILES for 6-amino-3-methoxycyclohex-2-ene-1-thione is COC1=CC(=S)C(N)CC1.
What is the InChIKey of 6-amino-3-methoxycyclohex-2-ene-1-thione?
The InChIKey is ULOLLNZIHYRVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-9-5-2-3-6(8)7(10)4-5/h4,6H,2-3,8H2,1H3.
What are the key properties of 6-amino-3-methoxycyclohex-2-ene-1-thione?
6-amino-3-methoxycyclohex-2-ene-1-thione has a molecular weight of 157.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methoxycyclohex-2-ene-1-thione is sourced from PubChem (CID 123529249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).