1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride

C16H24ClN3S — CID 23723145

IUPAC1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride
SMILESCSc1c(CN2CCN(C)CC2)c2ccccc2n1C.Cl
InChIInChI=1S/C16H23N3S.ClH/c1-17-8-10-19(11-9-17)12-14-13-6-4-5-7-15(13)18(2)16(14)20-3;/h4-7H,8-12H2,1-3H3;1H
InChIKeySGHVTSDYSUWXTO-UHFFFAOYSA-N
MW325.91 g/mol
LogP3.07
Rot. Bonds3

About 1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride

1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride (PubChem CID 23723145) has the molecular formula C16H24ClN3S and a molecular weight of 325.91 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride
PubChem CID23723145
Molecular FormulaC16H24ClN3S
Molecular Weight325.91 g/mol
Exact Mass325.14
IUPAC Name1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride
SMILESCSc1c(CN2CCN(C)CC2)c2ccccc2n1C.Cl
InChIInChI=1S/C16H23N3S.ClH/c1-17-8-10-19(11-9-17)12-14-13-6-4-5-7-15(13)18(2)16(14)20-3;/h4-7H,8-12H2,1-3H3;1H
InChIKeySGHVTSDYSUWXTO-UHFFFAOYSA-N
XLogP3.07
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride?
The IUPAC name of 1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride (CID 23723145) is 1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride.
What is the SMILES notation for 1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride?
The canonical SMILES for 1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride is CSc1c(CN2CCN(C)CC2)c2ccccc2n1C.Cl.
What is the InChIKey of 1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride?
The InChIKey is SGHVTSDYSUWXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S.ClH/c1-17-8-10-19(11-9-17)12-14-13-6-4-5-7-15(13)18(2)16(14)20-3;/h4-7H,8-12H2,1-3H3;1H.
What are the key properties of 1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride?
1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride has a molecular weight of 325.91 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-methylsulfanylindole;hydrochloride is sourced from PubChem (CID 23723145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).