N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide

C10H14N2O2S2 — CID 107037295

IUPACN-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1cc(S)cs1
InChIInChI=1S/C10H14N2O2S2/c1-11-9(13)3-4-12(2)10(14)8-5-7(15)6-16-8/h5-6,15H,3-4H2,1-2H3,(H,11,13)
InChIKeyJBSCTYGDXZYFQN-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.24
Rot. Bonds4

About N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide

N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107037295) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107037295
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC NameN-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1cc(S)cs1
InChIInChI=1S/C10H14N2O2S2/c1-11-9(13)3-4-12(2)10(14)8-5-7(15)6-16-8/h5-6,15H,3-4H2,1-2H3,(H,11,13)
InChIKeyJBSCTYGDXZYFQN-UHFFFAOYSA-N
XLogP1.24
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107023496
N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023704
N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107020696
N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021894
N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024271
3-hydroxy-4-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 104628237
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 106917655
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide
CID 107022373

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide (CID 107037295) is N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide is CNC(=O)CCN(C)C(=O)c1cc(S)cs1.
What is the InChIKey of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is JBSCTYGDXZYFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-11-9(13)3-4-12(2)10(14)8-5-7(15)6-16-8/h5-6,15H,3-4H2,1-2H3,(H,11,13).
What are the key properties of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide?
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107037295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).