3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine

C12H20N2S2 — CID 61436759

IUPAC3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
SMILESCCN(Cc1cccs1)C1(CN)CCSC1
InChIInChI=1S/C12H20N2S2/c1-2-14(8-11-4-3-6-16-11)12(9-13)5-7-15-10-12/h3-4,6H,2,5,7-10,13H2,1H3
InChIKeyDYJMSRQBNJVHGW-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.40
Rot. Bonds5

About 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine

3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine (PubChem CID 61436759) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
PubChem CID61436759
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
SMILESCCN(Cc1cccs1)C1(CN)CCSC1
InChIInChI=1S/C12H20N2S2/c1-2-14(8-11-4-3-6-16-11)12(9-13)5-7-15-10-12/h3-4,6H,2,5,7-10,13H2,1H3
InChIKeyDYJMSRQBNJVHGW-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-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

4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine
CID 61436948
1-(aminomethyl)-N,3-diethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64501978
1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65085139
3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79947969
3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79959004
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80705684
1-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64679712
1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 54948660
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 113483797
1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80706068
3-(aminomethyl)-N,N-bis(2-ethoxyethyl)thiolan-3-amine
CID 82965361
3-(aminomethyl)-N-methyl-1-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 79476289

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine (CID 61436759) is 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine is CCN(Cc1cccs1)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine?
The InChIKey is DYJMSRQBNJVHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-2-14(8-11-4-3-6-16-11)12(9-13)5-7-15-10-12/h3-4,6H,2,5,7-10,13H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine?
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine has a molecular weight of 256.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 61436759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).