N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine

C12H20N2OS — CID 107132646

IUPACN-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)C1CCSC1
InChIInChI=1S/C12H20N2OS/c1-14(7-10-2-4-15-8-10)12(6-13)11-3-5-16-9-11/h2,4,8,11-12H,3,5-7,9,13H2,1H3
InChIKeyHAJZZRZPBSRFPG-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.79
Rot. Bonds5

About N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine

N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132646) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132646
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)C1CCSC1
InChIInChI=1S/C12H20N2OS/c1-14(7-10-2-4-15-8-10)12(6-13)11-3-5-16-9-11/h2,4,8,11-12H,3,5-7,9,13H2,1H3
InChIKeyHAJZZRZPBSRFPG-UHFFFAOYSA-N
XLogP1.79
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 107132607
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132605
[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105331907
N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105177672
1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 79984790
3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 104710880
N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132836
N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132576
N-methyl-N-(3-methylbutan-2-yl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132615
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
CID 61421973
1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651199

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132646) is N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine is CN(Cc1ccoc1)C(CN)C1CCSC1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is HAJZZRZPBSRFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-14(7-10-2-4-15-8-10)12(6-13)11-3-5-16-9-11/h2,4,8,11-12H,3,5-7,9,13H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 240.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).