2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide

C13H15N3O2S — CID 43300561

IUPAC2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CSc1ncccc1N
InChIInChI=1S/C13H15N3O2S/c1-16(8-10-4-3-7-18-10)12(17)9-19-13-11(14)5-2-6-15-13/h2-7H,8-9,14H2,1H3
InChIKeyUPNIKERIHSIWGY-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.01
Rot. Bonds5

About 2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 43300561) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID43300561
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CSc1ncccc1N
InChIInChI=1S/C13H15N3O2S/c1-16(8-10-4-3-7-18-10)12(17)9-19-13-11(14)5-2-6-15-13/h2-7H,8-9,14H2,1H3
InChIKeyUPNIKERIHSIWGY-UHFFFAOYSA-N
XLogP2.01
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-methylacetamide
CID 43309761
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 100708985
ethyl 2-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 78889031
2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66219613
N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160453
N-(furan-2-ylmethyl)-N-methyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 78764225
2-(3-aminobutylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66234187
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 8000018
N-(furan-2-ylmethyl)-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895274
N-(furan-2-ylmethyl)-N-methyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29461174
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 84601182

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 43300561) is 2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CSc1ncccc1N.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is UPNIKERIHSIWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(8-10-4-3-7-18-10)12(17)9-19-13-11(14)5-2-6-15-13/h2-7H,8-9,14H2,1H3.
What are the key properties of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 277.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 43300561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).