N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine

C13H19N3O2S — CID 103704813

IUPACN-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine
SMILESCCSC1CCC(Nc2nccc(C)c2[N+](=O)[O-])C1
InChIInChI=1S/C13H19N3O2S/c1-3-19-11-5-4-10(8-11)15-13-12(16(17)18)9(2)6-7-14-13/h6-7,10-11H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyBARPFVMXAXNFQD-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.38
Rot. Bonds5

About N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine

N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine (PubChem CID 103704813) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine
PubChem CID103704813
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine
SMILESCCSC1CCC(Nc2nccc(C)c2[N+](=O)[O-])C1
InChIInChI=1S/C13H19N3O2S/c1-3-19-11-5-4-10(8-11)15-13-12(16(17)18)9(2)6-7-14-13/h6-7,10-11H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyBARPFVMXAXNFQD-UHFFFAOYSA-N
XLogP3.38
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-5-nitropyridin-2-amine
CID 113244226
N-(3-ethylsulfanylcyclopentyl)-2-methylpyrimidin-4-amine
CID 103704839
N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103704805
4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
CID 154763477
3-ethylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926221
6-chloro-N-(3-ethylsulfanylcyclopentyl)-4-nitropyridin-2-amine
CID 103888843
4-methyl-N-(3-morpholin-4-ylcyclobutyl)-3-nitropyridin-2-amine
CID 154763446
N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine
CID 103704778
N-(3-ethylsulfanylcyclopentyl)-5-fluoro-2-nitroaniline
CID 107302339
3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888844
1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 133306955
N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245596

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine (CID 103704813) is N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine is CCSC1CCC(Nc2nccc(C)c2[N+](=O)[O-])C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine?
The InChIKey is BARPFVMXAXNFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-19-11-5-4-10(8-11)15-13-12(16(17)18)9(2)6-7-14-13/h6-7,10-11H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine?
N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 103704813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).