N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine

C10H15N3O2S — CID 115637425

IUPACN-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine
SMILESCSCCCCNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C10H15N3O2S/c1-16-7-3-2-6-11-9-4-5-10(12-8-9)13(14)15/h4-5,8,11H,2-3,6-7H2,1H3
InChIKeyWXPRUTJAYLMJKN-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.54
Rot. Bonds7

About N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine

N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine (PubChem CID 115637425) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine
PubChem CID115637425
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine
SMILESCSCCCCNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C10H15N3O2S/c1-16-7-3-2-6-11-9-4-5-10(12-8-9)13(14)15/h4-5,8,11H,2-3,6-7H2,1H3
InChIKeyWXPRUTJAYLMJKN-UHFFFAOYSA-N
XLogP2.54
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-6-nitropyridin-3-amine
CID 60631644
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
6-nitro-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 79040122
6-nitro-N-(3-phenylpropyl)pyridin-3-amine
CID 60631720
N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine
CID 103604292
6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115633982
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
4-fluoro-N-(3-methylsulfanylpropyl)-3-nitroaniline
CID 43719223
N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
CID 60968024
N-(4-methylsulfanylbutyl)-2-nitroaniline
CID 115637403
N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine
CID 103724988
N-(4-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115637438

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine (CID 115637425) is N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine is CSCCCCNc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine?
The InChIKey is WXPRUTJAYLMJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-16-7-3-2-6-11-9-4-5-10(12-8-9)13(14)15/h4-5,8,11H,2-3,6-7H2,1H3.
What are the key properties of N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine?
N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine has a molecular weight of 241.32 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine is sourced from PubChem (CID 115637425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).