(Z)-2-(methylamino)dec-1-ene-1-thiol

C11H23NS — CID 156545787

IUPAC(Z)-2-(methylamino)dec-1-ene-1-thiol
SMILESCCCCCCCC/C(=C/S)NC
InChIInChI=1S/C11H23NS/c1-3-4-5-6-7-8-9-11(10-13)12-2/h10,12-13H,3-9H2,1-2H3/b11-10-
InChIKeyUCWTYJABWQTOJD-KHPPLWFESA-N
MW201.38 g/mol
LogP3.73
Rot. Bonds8

About (Z)-2-(methylamino)dec-1-ene-1-thiol

(Z)-2-(methylamino)dec-1-ene-1-thiol (PubChem CID 156545787) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is (Z)-2-(methylamino)dec-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-(methylamino)dec-1-ene-1-thiol
PubChem CID156545787
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name(Z)-2-(methylamino)dec-1-ene-1-thiol
SMILESCCCCCCCC/C(=C/S)NC
InChIInChI=1S/C11H23NS/c1-3-4-5-6-7-8-9-11(10-13)12-2/h10,12-13H,3-9H2,1-2H3/b11-10-
InChIKeyUCWTYJABWQTOJD-KHPPLWFESA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylamino)dec-1-ene-1-thiol?
The IUPAC name of (Z)-2-(methylamino)dec-1-ene-1-thiol (CID 156545787) is (Z)-2-(methylamino)dec-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-(methylamino)dec-1-ene-1-thiol?
The canonical SMILES for (Z)-2-(methylamino)dec-1-ene-1-thiol is CCCCCCCC/C(=C/S)NC.
What is the InChIKey of (Z)-2-(methylamino)dec-1-ene-1-thiol?
The InChIKey is UCWTYJABWQTOJD-KHPPLWFESA-N. The full InChI is InChI=1S/C11H23NS/c1-3-4-5-6-7-8-9-11(10-13)12-2/h10,12-13H,3-9H2,1-2H3/b11-10-.
What are the key properties of (Z)-2-(methylamino)dec-1-ene-1-thiol?
(Z)-2-(methylamino)dec-1-ene-1-thiol has a molecular weight of 201.38 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylamino)dec-1-ene-1-thiol is sourced from PubChem (CID 156545787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).