5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine

C11H21NOS — CID 114465702

IUPAC5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
SMILESC=C(C)COCCNC1CSC(C)C1
InChIInChI=1S/C11H21NOS/c1-9(2)7-13-5-4-12-11-6-10(3)14-8-11/h10-12H,1,4-8H2,2-3H3
InChIKeyVPTBXCIUGRSZBT-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.06
Rot. Bonds6

About 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine

5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine (PubChem CID 114465702) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
PubChem CID114465702
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
SMILESC=C(C)COCCNC1CSC(C)C1
InChIInChI=1S/C11H21NOS/c1-9(2)7-13-5-4-12-11-6-10(3)14-8-11/h10-12H,1,4-8H2,2-3H3
InChIKeyVPTBXCIUGRSZBT-UHFFFAOYSA-N
XLogP2.06
TPSA21.26 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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]thian-3-amine
CID 86787573
(3R)-N-[2-(2-methylprop-2-enoxy)ethyl]thian-3-amine
CID 97877542
(3S)-N-[2-(2-methylprop-2-enoxy)ethyl]thian-3-amine
CID 97877543
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 102672561
N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine
CID 103088472
2-N-[2-(2-methylprop-2-enoxy)ethyl]-5-methylsulfanylpentane-1,2-diamine
CID 103089093
3-ethylsulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 104081545
N-[2-(2-methylprop-2-enoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 104081547
N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 104668699
2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132493
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132888
3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 108424368

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine?
The IUPAC name of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine (CID 114465702) is 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine?
The canonical SMILES for 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine is C=C(C)COCCNC1CSC(C)C1.
What is the InChIKey of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine?
The InChIKey is VPTBXCIUGRSZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9(2)7-13-5-4-12-11-6-10(3)14-8-11/h10-12H,1,4-8H2,2-3H3.
What are the key properties of 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine?
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine has a molecular weight of 215.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine is sourced from PubChem (CID 114465702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).