(Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol

C11H21NOS — CID 11830854

IUPAC(Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol
SMILESC=C(C)CS/C(=C\C(O)CC)N(C)C
InChIInChI=1S/C11H21NOS/c1-6-10(13)7-11(12(4)5)14-8-9(2)3/h7,10,13H,2,6,8H2,1,3-5H3/b11-7-
InChIKeyMTYMPDBVOGLHBI-XFFZJAGNSA-N
MW215.36 g/mol
LogP2.47
Rot. Bonds6

About (Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol

(Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol (PubChem CID 11830854) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is (Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol
PubChem CID11830854
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name(Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol
SMILESC=C(C)CS/C(=C\C(O)CC)N(C)C
InChIInChI=1S/C11H21NOS/c1-6-10(13)7-11(12(4)5)14-8-9(2)3/h7,10,13H,2,6,8H2,1,3-5H3/b11-7-
InChIKeyMTYMPDBVOGLHBI-XFFZJAGNSA-N
XLogP2.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.47
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 (Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol?
The IUPAC name of (Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol (CID 11830854) is (Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol.
What is the SMILES notation for (Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol?
The canonical SMILES for (Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol is C=C(C)CS/C(=C\C(O)CC)N(C)C.
What is the InChIKey of (Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol?
The InChIKey is MTYMPDBVOGLHBI-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H21NOS/c1-6-10(13)7-11(12(4)5)14-8-9(2)3/h7,10,13H,2,6,8H2,1,3-5H3/b11-7-.
What are the key properties of (Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol?
(Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol has a molecular weight of 215.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol is sourced from PubChem (CID 11830854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).