N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide

C11H18N2O3S2 — CID 66387613

IUPACN-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC(C)CS(C)(=O)=O
InChIInChI=1S/C11H18N2O3S2/c1-8(7-18(3,15)16)12-6-11-10(4-5-17-11)13-9(2)14/h4-5,8,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyQYDPCJSEWCDFNE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.23
Rot. Bonds6

About N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 66387613) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide
PubChem CID66387613
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC NameN-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC(C)CS(C)(=O)=O
InChIInChI=1S/C11H18N2O3S2/c1-8(7-18(3,15)16)12-6-11-10(4-5-17-11)13-9(2)14/h4-5,8,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyQYDPCJSEWCDFNE-UHFFFAOYSA-N
XLogP1.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385102
N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 113376055
N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
CID 81350667
N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385318
N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide
CID 66387309
N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106159011
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-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114174810
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 66387407

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide (CID 66387613) is N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNC(C)CS(C)(=O)=O.
What is the InChIKey of N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is QYDPCJSEWCDFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8(7-18(3,15)16)12-6-11-10(4-5-17-11)13-9(2)14/h4-5,8,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66387613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).