N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine

C11H19NO2S — CID 107906589

IUPACN-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(NC2C=CCCC2)CC1
InChIInChI=1S/C11H19NO2S/c13-15(14)8-6-11(7-9-15)12-10-4-2-1-3-5-10/h2,4,10-12H,1,3,5-9H2
InChIKeyLWVBWNPMTGHZJN-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.26
Rot. Bonds2

About N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine

N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine (PubChem CID 107906589) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine
PubChem CID107906589
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(NC2C=CCCC2)CC1
InChIInChI=1S/C11H19NO2S/c13-15(14)8-6-11(7-9-15)12-10-4-2-1-3-5-10/h2,4,10-12H,1,3,5-9H2
InChIKeyLWVBWNPMTGHZJN-UHFFFAOYSA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine (CID 107906589) is N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine is O=S1(=O)CCC(NC2C=CCCC2)CC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine?
The InChIKey is LWVBWNPMTGHZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-15(14)8-6-11(7-9-15)12-10-4-2-1-3-5-10/h2,4,10-12H,1,3,5-9H2.
What are the key properties of N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine?
N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine has a molecular weight of 229.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-1,1-dioxothian-4-amine is sourced from PubChem (CID 107906589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).