7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole

C16H23N3OS — CID 75496982

IUPAC7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole
SMILESCS(=O)CCN1CCN(Cc2cccc3cc[nH]c23)CC1
InChIInChI=1S/C16H23N3OS/c1-21(20)12-11-18-7-9-19(10-8-18)13-15-4-2-3-14-5-6-17-16(14)15/h2-6,17H,7-13H2,1H3
InChIKeyMWWCZMSQYWOPIJ-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.66
Rot. Bonds5

About 7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole

7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole (PubChem CID 75496982) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole
PubChem CID75496982
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole
SMILESCS(=O)CCN1CCN(Cc2cccc3cc[nH]c23)CC1
InChIInChI=1S/C16H23N3OS/c1-21(20)12-11-18-7-9-19(10-8-18)13-15-4-2-3-14-5-6-17-16(14)15/h2-6,17H,7-13H2,1H3
InChIKeyMWWCZMSQYWOPIJ-UHFFFAOYSA-N
XLogP1.66
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 77080763
(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 164637157
7-(2,2-dimethylpropyl)-1H-indole
CID 69029945
7-(1H-indol-7-ylmethyl)-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867044
N-[1-(1H-indol-7-ylmethyl)azepan-4-yl]-N-(pyrimidin-5-ylmethyl)acetamide
CID 129007698
N-[(4S)-1-(1H-indol-7-ylmethyl)azepan-4-yl]-N-(pyrimidin-5-ylmethyl)acetamide
CID 129331003
(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one
CID 93009561
2-(1H-indol-7-ylmethylamino)-N-methylacetamide
CID 103640761
1H-indol-7-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 126795994
N-[(4-aminopyrimidin-2-yl)methyl]-1-(1H-indol-7-ylmethyl)-N-methylazepan-4-amine
CID 128972759
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671119

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole?
The IUPAC name of 7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole (CID 75496982) is 7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole?
The canonical SMILES for 7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole is CS(=O)CCN1CCN(Cc2cccc3cc[nH]c23)CC1.
What is the InChIKey of 7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole?
The InChIKey is MWWCZMSQYWOPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-21(20)12-11-18-7-9-19(10-8-18)13-15-4-2-3-14-5-6-17-16(14)15/h2-6,17H,7-13H2,1H3.
What are the key properties of 7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole?
7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole has a molecular weight of 305.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 75496982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).