5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide

C9H14N2O2S2 — CID 115735679

IUPAC5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
SMILESCS(=O)CCNCc1cc(C(N)=O)cs1
InChIInChI=1S/C9H14N2O2S2/c1-15(13)3-2-11-5-8-4-7(6-14-8)9(10)12/h4,6,11H,2-3,5H2,1H3,(H2,10,12)
InChIKeyHYZYTDCJUJAQDV-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.32
Rot. Bonds6

About 5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide

5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide (PubChem CID 115735679) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
PubChem CID115735679
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
SMILESCS(=O)CCNCc1cc(C(N)=O)cs1
InChIInChI=1S/C9H14N2O2S2/c1-15(13)3-2-11-5-8-4-7(6-14-8)9(10)12/h4,6,11H,2-3,5H2,1H3,(H2,10,12)
InChIKeyHYZYTDCJUJAQDV-UHFFFAOYSA-N
XLogP0.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
CID 81463264
5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
CID 115735466
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
CID 79614481
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]thiophene-3-carboxamide
CID 103876396
tert-butyl N-[3-[(4-carbamoylthiophen-2-yl)methylamino]propyl]carbamate
CID 103801906
5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide
CID 104923448
5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide
CID 79614227
5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613625

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide (CID 115735679) is 5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide is CS(=O)CCNCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide?
The InChIKey is HYZYTDCJUJAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-15(13)3-2-11-5-8-4-7(6-14-8)9(10)12/h4,6,11H,2-3,5H2,1H3,(H2,10,12).
What are the key properties of 5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide?
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide has a molecular weight of 246.36 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 115735679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).