N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine

C12H24N2OS — CID 107132888

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCSC1
InChIInChI=1S/C12H24N2OS/c1-10(2)8-15-5-4-14-12(7-13)11-3-6-16-9-11/h11-12,14H,1,3-9,13H2,2H3
InChIKeyUFQIYURXDCDZIC-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.25
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine

N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132888) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132888
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESC=C(C)COCCNC(CN)C1CCSC1
InChIInChI=1S/C12H24N2OS/c1-10(2)8-15-5-4-14-12(7-13)11-3-6-16-9-11/h11-12,14H,1,3-9,13H2,2H3
InChIKeyUFQIYURXDCDZIC-UHFFFAOYSA-N
XLogP1.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-1-(thiolan-3-yl)ethane-1,2-diamine 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

2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 102672561
2-N-[2-(2-methylprop-2-enoxy)ethyl]-5-methylsulfanylpentane-1,2-diamine
CID 103089093
2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132493
N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132714
N-(2-ethoxyethyl)-N-ethyl-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132749
N-(2-ethoxyethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132835
3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 108424368
3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thian-3-amine
CID 113589210
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(1-methylsulfanylcyclobutyl)ethane-1,2-diamine
CID 114269890
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 114465702
3-(aminomethyl)-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 114466244
3-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 114466419

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132888) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine is C=C(C)COCCNC(CN)C1CCSC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is UFQIYURXDCDZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(2)8-15-5-4-14-12(7-13)11-3-6-16-9-11/h11-12,14H,1,3-9,13H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 244.40 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).