7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole

C19H21N3S — CID 142875013

IUPAC7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole
SMILESCN1CCN(c2cccc3cc(Sc4ccccc4)[nH]c23)CC1
InChIInChI=1S/C19H21N3S/c1-21-10-12-22(13-11-21)17-9-5-6-15-14-18(20-19(15)17)23-16-7-3-2-4-8-16/h2-9,14,20H,10-13H2,1H3
InChIKeyAGKLSSLYXZGCRC-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.07
Rot. Bonds3

About 7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole

7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole (PubChem CID 142875013) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole
PubChem CID142875013
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole
SMILESCN1CCN(c2cccc3cc(Sc4ccccc4)[nH]c23)CC1
InChIInChI=1S/C19H21N3S/c1-21-10-12-22(13-11-21)17-9-5-6-15-14-18(20-19(15)17)23-16-7-3-2-4-8-16/h2-9,14,20H,10-13H2,1H3
InChIKeyAGKLSSLYXZGCRC-UHFFFAOYSA-N
XLogP4.07
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole (CID 142875013) is 7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole is CN1CCN(c2cccc3cc(Sc4ccccc4)[nH]c23)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole?
The InChIKey is AGKLSSLYXZGCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-21-10-12-22(13-11-21)17-9-5-6-15-14-18(20-19(15)17)23-16-7-3-2-4-8-16/h2-9,14,20H,10-13H2,1H3.
What are the key properties of 7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole?
7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole has a molecular weight of 323.47 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-2-phenylsulfanyl-1H-indole is sourced from PubChem (CID 142875013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).