(Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol

C11H20N2S — CID 89426007

IUPAC(Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol
SMILESCCNC1=CCCC(/C(N)=C(\C)S)C1
InChIInChI=1S/C11H20N2S/c1-3-13-10-6-4-5-9(7-10)11(12)8(2)14/h6,9,13-14H,3-5,7,12H2,1-2H3/b11-8-
InChIKeyVISIEZZPTZIYEN-FLIBITNWSA-N
MW212.36 g/mol
LogP2.40
Rot. Bonds3

About (Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol

(Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol (PubChem CID 89426007) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is (Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol.

Molecular Properties

Compound Name(Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol
PubChem CID89426007
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name(Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol
SMILESCCNC1=CCCC(/C(N)=C(\C)S)C1
InChIInChI=1S/C11H20N2S/c1-3-13-10-6-4-5-9(7-10)11(12)8(2)14/h6,9,13-14H,3-5,7,12H2,1-2H3/b11-8-
InChIKeyVISIEZZPTZIYEN-FLIBITNWSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol?
The IUPAC name of (Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol (CID 89426007) is (Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol.
What is the SMILES notation for (Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol?
The canonical SMILES for (Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol is CCNC1=CCCC(/C(N)=C(\C)S)C1.
What is the InChIKey of (Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol?
The InChIKey is VISIEZZPTZIYEN-FLIBITNWSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-13-10-6-4-5-9(7-10)11(12)8(2)14/h6,9,13-14H,3-5,7,12H2,1-2H3/b11-8-.
What are the key properties of (Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol?
(Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol has a molecular weight of 212.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-amino-1-[3-(ethylamino)cyclohex-3-en-1-yl]prop-1-ene-2-thiol is sourced from PubChem (CID 89426007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).