N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide

C12H17N3O2S — CID 43290807

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
SMILESCN(CCC(N)=S)C(=O)CCn1ccccc1=O
InChIInChI=1S/C12H17N3O2S/c1-14(8-5-10(13)18)11(16)6-9-15-7-3-2-4-12(15)17/h2-4,7H,5-6,8-9H2,1H3,(H2,13,18)
InChIKeyLGKIEQMVDKZHAT-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.37
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 43290807) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID43290807
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
SMILESCN(CCC(N)=S)C(=O)CCn1ccccc1=O
InChIInChI=1S/C12H17N3O2S/c1-14(8-5-10(13)18)11(16)6-9-15-7-3-2-4-12(15)17/h2-4,7H,5-6,8-9H2,1H3,(H2,13,18)
InChIKeyLGKIEQMVDKZHAT-UHFFFAOYSA-N
XLogP0.37
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
CID 80581020
2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide
CID 82897140
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979557
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 115759961
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 54993634
2,2-dimethyl-4-(2-oxo-1-pyridinyl)butanethioamide
CID 65249108
N-(3-amino-3-sulfanylidenepropyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80741547
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86984764
2-(2-oxo-1-pyridinyl)ethanethioamide
CID 4913354
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 87020189
N-(3-amino-3-sulfanylidenepropyl)-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-methylpropanamide
CID 64834739
N-(3-amino-3-sulfanylidenepropyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 114395786

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide (CID 43290807) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide is CN(CCC(N)=S)C(=O)CCn1ccccc1=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is LGKIEQMVDKZHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-14(8-5-10(13)18)11(16)6-9-15-7-3-2-4-12(15)17/h2-4,7H,5-6,8-9H2,1H3,(H2,13,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 267.35 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 43290807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).