N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide

C10H16N2OS2 — CID 119429867

IUPACN-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide
SMILESCNCCCNC(=O)c1sccc1SC
InChIInChI=1S/C10H16N2OS2/c1-11-5-3-6-12-10(13)9-8(14-2)4-7-15-9/h4,7,11H,3,5-6H2,1-2H3,(H,12,13)
InChIKeyAHDORQUPNDGVAW-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.81
Rot. Bonds6

About N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide

N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 119429867) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide
PubChem CID119429867
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC NameN-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide
SMILESCNCCCNC(=O)c1sccc1SC
InChIInChI=1S/C10H16N2OS2/c1-11-5-3-6-12-10(13)9-8(14-2)4-7-15-9/h4,7,11H,3,5-6H2,1-2H3,(H,12,13)
InChIKeyAHDORQUPNDGVAW-UHFFFAOYSA-N
XLogP1.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.81
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

N-(3-aminopropyl)-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119405175
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 111429524
N-(3-amino-2-methylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 119995733
N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119619363
N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111447422
N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111335113
3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119555349
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
2,4-dichloro-N-[3-(methylamino)propyl]-5-methylsulfanylbenzamide
CID 119431280
N-[3-(methylamino)propyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119431684
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide (CID 119429867) is N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide is CNCCCNC(=O)c1sccc1SC.
What is the InChIKey of N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is AHDORQUPNDGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-11-5-3-6-12-10(13)9-8(14-2)4-7-15-9/h4,7,11H,3,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide?
N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 244.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 119429867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).