N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide

C13H20N2OS2 — CID 80595252

IUPACN-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC1CCCCS1
InChIInChI=1S/C13H20N2OS2/c1-10(16)15-12-5-7-18-13(12)9-14-8-11-4-2-3-6-17-11/h5,7,11,14H,2-4,6,8-9H2,1H3,(H,15,16)
InChIKeyDUOGXTWLQXZNCO-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.08
Rot. Bonds5

About N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 80595252) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide
PubChem CID80595252
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC1CCCCS1
InChIInChI=1S/C13H20N2OS2/c1-10(16)15-12-5-7-18-13(12)9-14-8-11-4-2-3-6-17-11/h5,7,11,14H,2-4,6,8-9H2,1H3,(H,15,16)
InChIKeyDUOGXTWLQXZNCO-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[(2-cyclohexyloxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386410
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide
CID 66386018
2-(methylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072195
N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66384800
N-[2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]thiophen-3-yl]acetamide
CID 66386316
2-[4-[(thian-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103257966
N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide
CID 66386996
N-[(4-methylphenyl)methyl]-1-(thian-2-yl)methanamine
CID 80600045
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66387573

Frequently Asked Questions

What is the IUPAC name of N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide (CID 80595252) is N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCC1CCCCS1.
What is the InChIKey of N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is DUOGXTWLQXZNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-10(16)15-12-5-7-18-13(12)9-14-8-11-4-2-3-6-17-11/h5,7,11,14H,2-4,6,8-9H2,1H3,(H,15,16).
What are the key properties of N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 284.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 80595252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).