N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine

C17H25N3S — CID 105161379

IUPACN-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
SMILESCCNC(Cc1nn(C)c2ccccc12)C1(C)CCCS1
InChIInChI=1S/C17H25N3S/c1-4-18-16(17(2)10-7-11-21-17)12-14-13-8-5-6-9-15(13)20(3)19-14/h5-6,8-9,16,18H,4,7,10-12H2,1-3H3
InChIKeyHZIRZNBMHXPHON-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.38
Rot. Bonds5

About N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine

N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 105161379) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID105161379
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
SMILESCCNC(Cc1nn(C)c2ccccc12)C1(C)CCCS1
InChIInChI=1S/C17H25N3S/c1-4-18-16(17(2)10-7-11-21-17)12-14-13-8-5-6-9-15(13)20(3)19-14/h5-6,8-9,16,18H,4,7,10-12H2,1-3H3
InChIKeyHZIRZNBMHXPHON-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine (CID 105161379) is N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine is CCNC(Cc1nn(C)c2ccccc12)C1(C)CCCS1.
What is the InChIKey of N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is HZIRZNBMHXPHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-18-16(17(2)10-7-11-21-17)12-14-13-8-5-6-9-15(13)20(3)19-14/h5-6,8-9,16,18H,4,7,10-12H2,1-3H3.
What are the key properties of N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine?
N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 303.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylindazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 105161379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).