N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide

C12H17N3O3S2 — CID 7759590

IUPACN-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(SCC(=O)NC2CC2)nc1
InChIInChI=1S/C12H17N3O3S2/c1-15(2)20(17,18)10-5-6-12(13-7-10)19-8-11(16)14-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyHUUUULDATSMUQJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.70
Rot. Bonds6

About N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide

N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 7759590) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID7759590
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(SCC(=O)NC2CC2)nc1
InChIInChI=1S/C12H17N3O3S2/c1-15(2)20(17,18)10-5-6-12(13-7-10)19-8-11(16)14-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyHUUUULDATSMUQJ-UHFFFAOYSA-N
XLogP0.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779585
N-cycloheptyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 7593969
N-cyclopropyl-2-[[5-(1-hydroxyethyl)-2-pyridinyl]sulfanyl]acetamide
CID 114234869
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
CID 7774946
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 24530942
N-(2-acetylphenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 7759654
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 41042274
N,N-dimethyl-6-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 7759924
N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 24571729
ethyl N-[2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetyl]carbamate
CID 7774962
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55373450
N-(2-cyanoethyl)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetamide
CID 7774968

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide (CID 7759590) is N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide is CN(C)S(=O)(=O)c1ccc(SCC(=O)NC2CC2)nc1.
What is the InChIKey of N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is HUUUULDATSMUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-15(2)20(17,18)10-5-6-12(13-7-10)19-8-11(16)14-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide?
N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 7759590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).