N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide

C11H15N3O3S2 — CID 59939157

IUPACN-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide
SMILESCCC(=O)N(c1cc(C)ncc1C(N)=S)S(=O)OC
InChIInChI=1S/C11H15N3O3S2/c1-4-10(15)14(19(16)17-3)9-5-7(2)13-6-8(9)11(12)18/h5-6H,4H2,1-3H3,(H2,12,18)
InChIKeyCWRQTMSWOQDFFV-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.99
Rot. Bonds5

About N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide

N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide (PubChem CID 59939157) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide
PubChem CID59939157
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC NameN-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide
SMILESCCC(=O)N(c1cc(C)ncc1C(N)=S)S(=O)OC
InChIInChI=1S/C11H15N3O3S2/c1-4-10(15)14(19(16)17-3)9-5-7(2)13-6-8(9)11(12)18/h5-6H,4H2,1-3H3,(H2,12,18)
InChIKeyCWRQTMSWOQDFFV-UHFFFAOYSA-N
XLogP0.99
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide
CID 59939134
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide
CID 59938093
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-4-chloro-N-ethylbenzamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide;bis(N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylacetamide);N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-cyano-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide
CID 161136238
4-methoxy-6-methylpyridine-3-carboxamide
CID 69278952
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
ethyl 4-cyano-6-methylpyridine-3-carboxylate
CID 101070953
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233163
4-amino-N,N-diethyl-6-methylpyridine-3-carboxamide
CID 81236376
4-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244760
4-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-3-carboxylic acid
CID 104552262

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide?
The IUPAC name of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide (CID 59939157) is N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide?
The canonical SMILES for N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide is CCC(=O)N(c1cc(C)ncc1C(N)=S)S(=O)OC.
What is the InChIKey of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide?
The InChIKey is CWRQTMSWOQDFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-4-10(15)14(19(16)17-3)9-5-7(2)13-6-8(9)11(12)18/h5-6H,4H2,1-3H3,(H2,12,18).
What are the key properties of N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide?
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide has a molecular weight of 301.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide is sourced from PubChem (CID 59939157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).