2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide

C12H18N2OS2 — CID 113487602

IUPAC2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)NCC1CCSCC1)c1cccs1
InChIInChI=1S/C12H18N2OS2/c13-11(10-2-1-5-17-10)12(15)14-8-9-3-6-16-7-4-9/h1-2,5,9,11H,3-4,6-8,13H2,(H,14,15)
InChIKeyDBBMCNJTCZZQRK-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.01
Rot. Bonds4

About 2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide

2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 113487602) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID113487602
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)NCC1CCSCC1)c1cccs1
InChIInChI=1S/C12H18N2OS2/c13-11(10-2-1-5-17-10)12(15)14-8-9-3-6-16-7-4-9/h1-2,5,9,11H,3-4,6-8,13H2,(H,14,15)
InChIKeyDBBMCNJTCZZQRK-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(cyclopentylmethyl)-2-thiophen-2-ylacetamide
CID 115286039
2-amino-N-(cyclohex-3-en-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287121
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
CID 115286057
5-[[(2-amino-2-thiophen-2-ylacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 115287506
2-amino-N-(dicyclopropylmethyl)-2-thiophen-2-ylacetamide
CID 115286946
2-amino-N-(4-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 113279219
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-N-(4-ethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287059
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
2-amino-N-(2-methoxypropyl)-2-thiophen-2-ylacetamide
CID 102695079
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide (CID 113487602) is 2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide is NC(C(=O)NCC1CCSCC1)c1cccs1.
What is the InChIKey of 2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is DBBMCNJTCZZQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c13-11(10-2-1-5-17-10)12(15)14-8-9-3-6-16-7-4-9/h1-2,5,9,11H,3-4,6-8,13H2,(H,14,15).
What are the key properties of 2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide?
2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 270.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113487602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).