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

C10H17N3S — CID 82095718

IUPAC5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine
SMILESCN(C)CCCSc1ccc(N)nc1
InChIInChI=1S/C10H17N3S/c1-13(2)6-3-7-14-9-4-5-10(11)12-8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,11,12)
InChIKeyHFTCNPZUNIMSMK-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.71
Rot. Bonds5

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

5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine (PubChem CID 82095718) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine
PubChem CID82095718
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine
SMILESCN(C)CCCSc1ccc(N)nc1
InChIInChI=1S/C10H17N3S/c1-13(2)6-3-7-14-9-4-5-10(11)12-8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,11,12)
InChIKeyHFTCNPZUNIMSMK-UHFFFAOYSA-N
XLogP1.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine (CID 82095718) is 5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine is CN(C)CCCSc1ccc(N)nc1.
What is the InChIKey of 5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine?
The InChIKey is HFTCNPZUNIMSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-13(2)6-3-7-14-9-4-5-10(11)12-8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,11,12).
What are the key properties of 5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine?
5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 82095718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).