N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine

C10H21NOS — CID 114465759

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine
SMILESC=C(C)COCCNCCCSC
InChIInChI=1S/C10H21NOS/c1-10(2)9-12-7-6-11-5-4-8-13-3/h11H,1,4-9H2,2-3H3
InChIKeyQWFLEHORXOGETK-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.92
Rot. Bonds9

About N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine (PubChem CID 114465759) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine
PubChem CID114465759
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine
SMILESC=C(C)COCCNCCCSC
InChIInChI=1S/C10H21NOS/c1-10(2)9-12-7-6-11-5-4-8-13-3/h11H,1,4-9H2,2-3H3
InChIKeyQWFLEHORXOGETK-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.92
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'}

Analyze N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]thian-3-amine
CID 86787573
2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 114467728
2-prop-2-enoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 118890728
N-(6H-1,3-oxathiin-2-ylmethyl)propan-1-amine
CID 146182588
(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-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 104668699
2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine
CID 106724570

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine (CID 114465759) is N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine is C=C(C)COCCNCCCSC.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is QWFLEHORXOGETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-10(2)9-12-7-6-11-5-4-8-13-3/h11H,1,4-9H2,2-3H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 114465759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).