2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide

C11H15Cl2N3OS — CID 66234835

IUPAC2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide
SMILESCC(N)CCSCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2N3OS/c1-7(14)2-3-18-6-10(17)16-11-9(13)4-8(12)5-15-11/h4-5,7H,2-3,6,14H2,1H3,(H,15,16,17)
InChIKeyPZJRQBHALVDCJD-UHFFFAOYSA-N
MW308.23 g/mol
LogP2.80
Rot. Bonds6

About 2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide

2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide (PubChem CID 66234835) has the molecular formula C11H15Cl2N3OS and a molecular weight of 308.23 g/mol. Its IUPAC name is 2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide
PubChem CID66234835
Molecular FormulaC11H15Cl2N3OS
Molecular Weight308.23 g/mol
Exact Mass307.03
IUPAC Name2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide
SMILESCC(N)CCSCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2N3OS/c1-7(14)2-3-18-6-10(17)16-11-9(13)4-8(12)5-15-11/h4-5,7H,2-3,6,14H2,1H3,(H,15,16,17)
InChIKeyPZJRQBHALVDCJD-UHFFFAOYSA-N
XLogP2.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminopropylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 66218227
2-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353727
N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498579
N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115966875
N-(3,5-dichloro-2-pyridinyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8988433
ethyl 2-[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 9286880
2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 4583439
2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 66232131
N-[2-(3-aminobutylsulfanyl)acetyl]-2-chlorobenzamide
CID 66234412
S-methyl N-(3,5-dichloro-2-pyridinyl)carbamothioate
CID 87838372
N-(2-amino-4,6-dichlorophenyl)-2-(3-methylbutylsulfanyl)acetamide
CID 107749089
N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8616226

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide (CID 66234835) is 2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide is CC(N)CCSCC(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
The InChIKey is PZJRQBHALVDCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3OS/c1-7(14)2-3-18-6-10(17)16-11-9(13)4-8(12)5-15-11/h4-5,7H,2-3,6,14H2,1H3,(H,15,16,17).
What are the key properties of 2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide has a molecular weight of 308.23 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide is sourced from PubChem (CID 66234835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).