N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide

C12H20N2OS2 — CID 66387407

IUPACN-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCSCC(C)CNCc1sccc1NC(C)=O
InChIInChI=1S/C12H20N2OS2/c1-9(8-16-3)6-13-7-12-11(4-5-17-12)14-10(2)15/h4-5,9,13H,6-8H2,1-3H3,(H,14,15)
InChIKeyQMMCNTWPHADYIP-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.80
Rot. Bonds7

About N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide

N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide (PubChem CID 66387407) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
PubChem CID66387407
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC NameN-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCSCC(C)CNCc1sccc1NC(C)=O
InChIInChI=1S/C12H20N2OS2/c1-9(8-16-3)6-13-7-12-11(4-5-17-12)14-10(2)15/h4-5,9,13H,6-8H2,1-3H3,(H,14,15)
InChIKeyQMMCNTWPHADYIP-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386200
N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106159011
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 113376055
N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385102
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide
CID 81169972

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide (CID 66387407) is N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide is CSCC(C)CNCc1sccc1NC(C)=O.
What is the InChIKey of N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is QMMCNTWPHADYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-9(8-16-3)6-13-7-12-11(4-5-17-12)14-10(2)15/h4-5,9,13H,6-8H2,1-3H3,(H,14,15).
What are the key properties of N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 272.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66387407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).