4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine

C14H23N3O2S — CID 115337065

IUPAC4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23N3O2S/c1-2-5-16-13(12-4-7-20(18,19)10-12)8-11-3-6-17-14(15)9-11/h3,6,9,12-13,16H,2,4-5,7-8,10H2,1H3,(H2,15,17)
InChIKeyBSBPEBYSNWVBBM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.01
Rot. Bonds6

About 4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine

4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine (PubChem CID 115337065) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
PubChem CID115337065
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23N3O2S/c1-2-5-16-13(12-4-7-20(18,19)10-12)8-11-3-6-17-14(15)9-11/h3,6,9,12-13,16H,2,4-5,7-8,10H2,1H3,(H2,15,17)
InChIKeyBSBPEBYSNWVBBM-UHFFFAOYSA-N
XLogP1.01
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 65414759
N-[1-(1,1-dioxothiolan-3-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83182675
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
N-[1-(1,1-dioxothiolan-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115337026
N-[2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]propan-1-amine
CID 115337034
N-[1-(1,1-dioxothiolan-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115337039
4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 103346418
N-[1-(1,1-dioxothiolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115336951
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 64905384
1-(1,1-dioxothiolan-3-yl)-4-methyl-N-propylpentan-1-amine
CID 113289799
1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine
CID 115336970

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine (CID 115337065) is 4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine is CCCNC(Cc1ccnc(N)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is BSBPEBYSNWVBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-5-16-13(12-4-7-20(18,19)10-12)8-11-3-6-17-14(15)9-11/h3,6,9,12-13,16H,2,4-5,7-8,10H2,1H3,(H2,15,17).
What are the key properties of 4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine?
4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine has a molecular weight of 297.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 115337065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).