4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine

C15H21N3S — CID 83196924

IUPAC4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine
SMILESCCn1nc(CC2CSCC2NC)c2ccccc21
InChIInChI=1S/C15H21N3S/c1-3-18-15-7-5-4-6-12(15)13(17-18)8-11-9-19-10-14(11)16-2/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyFSUDSDYHQSMFCT-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.55
Rot. Bonds4

About 4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine

4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine (PubChem CID 83196924) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound Name4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine
PubChem CID83196924
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine
SMILESCCn1nc(CC2CSCC2NC)c2ccccc21
InChIInChI=1S/C15H21N3S/c1-3-18-15-7-5-4-6-12(15)13(17-18)8-11-9-19-10-14(11)16-2/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyFSUDSDYHQSMFCT-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine?
The IUPAC name of 4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine (CID 83196924) is 4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for 4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine?
The canonical SMILES for 4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine is CCn1nc(CC2CSCC2NC)c2ccccc21.
What is the InChIKey of 4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine?
The InChIKey is FSUDSDYHQSMFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-18-15-7-5-4-6-12(15)13(17-18)8-11-9-19-10-14(11)16-2/h4-7,11,14,16H,3,8-10H2,1-2H3.
What are the key properties of 4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine?
4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine has a molecular weight of 275.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylindazol-3-yl)methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 83196924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).