[2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine

C11H17NS2 — CID 83173755

IUPAC[2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine
SMILESNCC1(CCc2ccsc2)CCCS1
InChIInChI=1S/C11H17NS2/c12-9-11(4-1-6-14-11)5-2-10-3-7-13-8-10/h3,7-8H,1-2,4-6,9,12H2
InChIKeyCINYMUOIDYMXQN-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.91
Rot. Bonds4

About [2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine

[2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine (PubChem CID 83173755) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is [2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine
PubChem CID83173755
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name[2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine
SMILESNCC1(CCc2ccsc2)CCCS1
InChIInChI=1S/C11H17NS2/c12-9-11(4-1-6-14-11)5-2-10-3-7-13-8-10/h3,7-8H,1-2,4-6,9,12H2
InChIKeyCINYMUOIDYMXQN-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 65392570
[2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine
CID 65407126
N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147773
3-ethyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64514105
2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64774556
1-(aminomethyl)-N-(2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
CID 115448466
2-methyl-2-(2-thiophen-3-ylethyl)azepane
CID 79117598
1-[(thiophen-3-ylmethylamino)methyl]cyclopropan-1-amine
CID 65460029
1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 116558832
4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 113315334
(2-dodecylthiolan-2-yl)methanamine
CID 83174026

Frequently Asked Questions

What is the IUPAC name of [2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine?
The IUPAC name of [2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine (CID 83173755) is [2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine.
What is the SMILES notation for [2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine?
The canonical SMILES for [2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine is NCC1(CCc2ccsc2)CCCS1.
What is the InChIKey of [2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine?
The InChIKey is CINYMUOIDYMXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c12-9-11(4-1-6-14-11)5-2-10-3-7-13-8-10/h3,7-8H,1-2,4-6,9,12H2.
What are the key properties of [2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine?
[2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine has a molecular weight of 227.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-thiophen-3-ylethyl)thiolan-2-yl]methanamine is sourced from PubChem (CID 83173755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).