(Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol

C11H21NS — CID 126713264

IUPAC(Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol
SMILESC/C=C\NC(C)/C=C\[C@@H](CC)CS
InChIInChI=1S/C11H21NS/c1-4-8-12-10(3)6-7-11(5-2)9-13/h4,6-8,10-13H,5,9H2,1-3H3/b7-6-,8-4-/t10?,11-/m1/s1
InChIKeyADNURBSZMIOFEG-VOHOPZKLSA-N
MW199.36 g/mol
LogP3.01
Rot. Bonds6

About (Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol

(Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol (PubChem CID 126713264) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is (Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol.

Molecular Properties

Compound Name(Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol
PubChem CID126713264
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name(Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol
SMILESC/C=C\NC(C)/C=C\[C@@H](CC)CS
InChIInChI=1S/C11H21NS/c1-4-8-12-10(3)6-7-11(5-2)9-13/h4,6-8,10-13H,5,9H2,1-3H3/b7-6-,8-4-/t10?,11-/m1/s1
InChIKeyADNURBSZMIOFEG-VOHOPZKLSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol?
The IUPAC name of (Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol (CID 126713264) is (Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol.
What is the SMILES notation for (Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol?
The canonical SMILES for (Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol is C/C=C\NC(C)/C=C\[C@@H](CC)CS.
What is the InChIKey of (Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol?
The InChIKey is ADNURBSZMIOFEG-VOHOPZKLSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-8-12-10(3)6-7-11(5-2)9-13/h4,6-8,10-13H,5,9H2,1-3H3/b7-6-,8-4-/t10?,11-/m1/s1.
What are the key properties of (Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol?
(Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol has a molecular weight of 199.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-ethyl-5-[[(Z)-prop-1-enyl]amino]hex-3-ene-1-thiol is sourced from PubChem (CID 126713264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).