N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine

C11H17NS2 — CID 80621899

IUPACN-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)C1CCCS1
InChIInChI=1S/C11H17NS2/c1-12-10(11-5-3-7-14-11)8-9-4-2-6-13-9/h2,4,6,10-12H,3,5,7-8H2,1H3
InChIKeyMXVWAXKRUKMJQA-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.77
Rot. Bonds4

About N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine

N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 80621899) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine
PubChem CID80621899
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC NameN-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)C1CCCS1
InChIInChI=1S/C11H17NS2/c1-12-10(11-5-3-7-14-11)8-9-4-2-6-13-9/h2,4,6,10-12H,3,5,7-8H2,1H3
InChIKeyMXVWAXKRUKMJQA-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine
CID 63861480
1-(2,2-dimethylcyclopentyl)-N-methyl-2-thiophen-2-ylethanamine
CID 107179492
2-(4-tert-butylphenyl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 80622254
N-methyl-2-pyridin-3-yl-1-(thiolan-2-yl)ethanamine
CID 104736655
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
N-methyl-1-(thiolan-2-yl)butan-1-amine
CID 80621526
1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 80623136
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80621547
N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627266
N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 102857841
N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine
CID 115727693

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine (CID 80621899) is N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine is CNC(Cc1cccs1)C1CCCS1.
What is the InChIKey of N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is MXVWAXKRUKMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-12-10(11-5-3-7-14-11)8-9-4-2-6-13-9/h2,4,6,10-12H,3,5,7-8H2,1H3.
What are the key properties of N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine?
N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 227.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 80621899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).