5-[3-(methylamino)propylsulfanyl]pyridin-2-amine

C9H15N3S — CID 106318328

IUPAC5-[3-(methylamino)propylsulfanyl]pyridin-2-amine
SMILESCNCCCSc1ccc(N)nc1
InChIInChI=1S/C9H15N3S/c1-11-5-2-6-13-8-3-4-9(10)12-7-8/h3-4,7,11H,2,5-6H2,1H3,(H2,10,12)
InChIKeyKNWVWUMZVXJHSS-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.37
Rot. Bonds5

About 5-[3-(methylamino)propylsulfanyl]pyridin-2-amine

5-[3-(methylamino)propylsulfanyl]pyridin-2-amine (PubChem CID 106318328) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-[3-(methylamino)propylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(methylamino)propylsulfanyl]pyridin-2-amine
PubChem CID106318328
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-[3-(methylamino)propylsulfanyl]pyridin-2-amine
SMILESCNCCCSc1ccc(N)nc1
InChIInChI=1S/C9H15N3S/c1-11-5-2-6-13-8-3-4-9(10)12-7-8/h3-4,7,11H,2,5-6H2,1H3,(H2,10,12)
InChIKeyKNWVWUMZVXJHSS-UHFFFAOYSA-N
XLogP1.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.37
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

5-(4-methylpentylsulfanyl)pyridin-2-amine
CID 83158550
4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide
CID 63891001
5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine
CID 82095718
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine
CID 43301959
3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 43301810
5-(2-propoxyethylsulfanyl)pyridin-2-amine
CID 106453324
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine
CID 104563701
3-[(6-amino-3-pyridinyl)sulfanyl]propanehydrazide
CID 63590449
5-[(E)-but-2-enyl]sulfanylpyridin-2-amine
CID 43302260
3-(3,4-difluorophenyl)sulfanyl-N-methylpropan-1-amine
CID 61385791
5-(ethoxymethylsulfanyl)pyridin-2-amine
CID 65369754
4-(4-chlorophenyl)sulfanyl-N-methylbutan-1-amine
CID 62583689

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)propylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[3-(methylamino)propylsulfanyl]pyridin-2-amine (CID 106318328) is 5-[3-(methylamino)propylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(methylamino)propylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(methylamino)propylsulfanyl]pyridin-2-amine is CNCCCSc1ccc(N)nc1.
What is the InChIKey of 5-[3-(methylamino)propylsulfanyl]pyridin-2-amine?
The InChIKey is KNWVWUMZVXJHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-11-5-2-6-13-8-3-4-9(10)12-7-8/h3-4,7,11H,2,5-6H2,1H3,(H2,10,12).
What are the key properties of 5-[3-(methylamino)propylsulfanyl]pyridin-2-amine?
5-[3-(methylamino)propylsulfanyl]pyridin-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)propylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 106318328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).