3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide

C11H15N3OS — CID 106935793

IUPAC3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide
SMILESCN(C(=O)C(C)(C)C(N)=S)c1ccncc1
InChIInChI=1S/C11H15N3OS/c1-11(2,9(12)16)10(15)14(3)8-4-6-13-7-5-8/h4-7H,1-3H3,(H2,12,16)
InChIKeyDAAMESCRTFWNIO-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.36
Rot. Bonds3

About 3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide

3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide (PubChem CID 106935793) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide
PubChem CID106935793
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide
SMILESCN(C(=O)C(C)(C)C(N)=S)c1ccncc1
InChIInChI=1S/C11H15N3OS/c1-11(2,9(12)16)10(15)14(3)8-4-6-13-7-5-8/h4-7H,1-3H3,(H2,12,16)
InChIKeyDAAMESCRTFWNIO-UHFFFAOYSA-N
XLogP1.36
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl(pyridin-4-yl)carbamic acid
CID 54205463
N-methyl-N-pyridin-4-ylcarbamodithioate
CID 58035970
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
CID 90892089
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate
CID 106936673
N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide
CID 106936756
4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601
2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide
CID 106934261
2-(ethylamino)-N-methyl-N-pyridin-4-ylacetamide
CID 106935129
2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide
CID 62001882
2,2-dimethyl-3-[methyl(pyridin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106934639
(2S)-2-amino-N-methyl-N-pyridin-4-ylpentanamide
CID 107570953

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide (CID 106935793) is 3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide is CN(C(=O)C(C)(C)C(N)=S)c1ccncc1.
What is the InChIKey of 3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide?
The InChIKey is DAAMESCRTFWNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-11(2,9(12)16)10(15)14(3)8-4-6-13-7-5-8/h4-7H,1-3H3,(H2,12,16).
What are the key properties of 3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide?
3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide has a molecular weight of 237.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide is sourced from PubChem (CID 106935793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).