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

C11H21NOS — CID 102672561

IUPAC2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
SMILESC=C(C)COCCNC1CCSC1C
InChIInChI=1S/C11H21NOS/c1-9(2)8-13-6-5-12-11-4-7-14-10(11)3/h10-12H,1,4-8H2,2-3H3
InChIKeyMNJUZPBNVZPREX-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.06
Rot. Bonds6

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

2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine (PubChem CID 102672561) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
PubChem CID102672561
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
SMILESC=C(C)COCCNC1CCSC1C
InChIInChI=1S/C11H21NOS/c1-9(2)8-13-6-5-12-11-4-7-14-10(11)3/h10-12H,1,4-8H2,2-3H3
InChIKeyMNJUZPBNVZPREX-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

2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine
CID 102671626
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine
CID 102672329
2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine
CID 103529246
N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine
CID 114465933
N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102671868
N',N'-diethyl-N-(2-methylthiolan-3-yl)propane-1,3-diamine
CID 102672813
2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132493
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine
CID 114817951
N-[2-(2-methylprop-2-enoxy)ethyl]-1,1-dioxothietan-3-amine
CID 135392293
N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine
CID 102671776
4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine
CID 114465917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine (CID 102672561) is 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine is C=C(C)COCCNC1CCSC1C.
What is the InChIKey of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine?
The InChIKey is MNJUZPBNVZPREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9(2)8-13-6-5-12-11-4-7-14-10(11)3/h10-12H,1,4-8H2,2-3H3.
What are the key properties of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine?
2-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 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine is sourced from PubChem (CID 102672561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).