3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole

C18H25N3O2S — CID 175632553

IUPAC3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole
SMILESO=S(=O)(c1c[nH]c2ccccc12)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H25N3O2S/c22-24(23,18-14-19-17-9-5-4-8-16(17)18)21-12-10-20(11-13-21)15-6-2-1-3-7-15/h4-5,8-9,14-15,19H,1-3,6-7,10-13H2
InChIKeyDKABISTYPPVKAW-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.81
Rot. Bonds3

About 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole

3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole (PubChem CID 175632553) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole
PubChem CID175632553
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole
SMILESO=S(=O)(c1c[nH]c2ccccc12)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H25N3O2S/c22-24(23,18-14-19-17-9-5-4-8-16(17)18)21-12-10-20(11-13-21)15-6-2-1-3-7-15/h4-5,8-9,14-15,19H,1-3,6-7,10-13H2
InChIKeyDKABISTYPPVKAW-UHFFFAOYSA-N
XLogP2.81
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175632717
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1-cyclopentyl-4-(4-methylnaphthalen-1-yl)sulfonylpiperazine
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1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 167910792
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2-(4-cyclopropylpiperazin-1-yl)sulfonylphenol
CID 81241270
2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 152768012
3-methylsulfonyl-1H-indole
CID 86767790
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086588
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole?
The IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole (CID 175632553) is 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole.
What is the SMILES notation for 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole?
The canonical SMILES for 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole is O=S(=O)(c1c[nH]c2ccccc12)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole?
The InChIKey is DKABISTYPPVKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-24(23,18-14-19-17-9-5-4-8-16(17)18)21-12-10-20(11-13-21)15-6-2-1-3-7-15/h4-5,8-9,14-15,19H,1-3,6-7,10-13H2.
What are the key properties of 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole?
3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole has a molecular weight of 347.48 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1H-indole is sourced from PubChem (CID 175632553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).