4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide

C10H16N2OS2 — CID 63982394

IUPAC4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
SMILESCSCCCNC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C10H16N2OS2/c1-7-8(11)6-9(15-7)10(13)12-4-3-5-14-2/h6H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyXGSWKYHTPOJWIW-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.12
Rot. Bonds5

About 4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide

4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide (PubChem CID 63982394) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
PubChem CID63982394
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
SMILESCSCCCNC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C10H16N2OS2/c1-7-8(11)6-9(15-7)10(13)12-4-3-5-14-2/h6H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyXGSWKYHTPOJWIW-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.12
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

4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide
CID 114162956
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-methylthiophene-2-carboxamide
CID 62635362
4-amino-5-methyl-N-(3-phenylmethoxypropyl)thiophene-2-carboxamide
CID 61111226
4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117048
3-[3-methyl-5-(3-methylsulfanylpropylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 79997109
4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 114173699
4-amino-N-[2-(2-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61093123
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63983038
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 79989765

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide (CID 63982394) is 4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide is CSCCCNC(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
The InChIKey is XGSWKYHTPOJWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-7-8(11)6-9(15-7)10(13)12-4-3-5-14-2/h6H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide has a molecular weight of 244.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 63982394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).