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

C12H20N2S2 — CID 107132607

IUPACN-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccs1)C(CN)C1CCSC1
InChIInChI=1S/C12H20N2S2/c1-14(8-11-3-2-5-16-11)12(7-13)10-4-6-15-9-10/h2-3,5,10,12H,4,6-9,13H2,1H3
InChIKeyQLVOVQMEUKESFK-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.26
Rot. Bonds5

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

N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 107132607) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID107132607
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cccs1)C(CN)C1CCSC1
InChIInChI=1S/C12H20N2S2/c1-14(8-11-3-2-5-16-11)12(7-13)10-4-6-15-9-10/h2-3,5,10,12H,4,6-9,13H2,1H3
InChIKeyQLVOVQMEUKESFK-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)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

1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527381
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132646
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132605
1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55034715
N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132576
1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651199
1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 79984334
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132836
N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651270
N-methyl-1-(oxan-4-yl)-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79476272

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 107132607) is N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CN(Cc1cccs1)C(CN)C1CCSC1.
What is the InChIKey of N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is QLVOVQMEUKESFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-14(8-11-3-2-5-16-11)12(7-13)10-4-6-15-9-10/h2-3,5,10,12H,4,6-9,13H2,1H3.
What are the key properties of N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 256.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 107132607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).