(4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone

C17H23N3O3S — CID 71702232

IUPAC(4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone
SMILESCC(C)n1ccc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc21
InChIInChI=1S/C17H23N3O3S/c1-13(2)20-7-6-14-12-15(4-5-16(14)20)17(21)18-8-10-19(11-9-18)24(3,22)23/h4-7,12-13H,8-11H2,1-3H3
InChIKeyLGLDPUFGHOJWPU-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.94
Rot. Bonds3

About (4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone

(4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone (PubChem CID 71702232) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone
PubChem CID71702232
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone
SMILESCC(C)n1ccc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc21
InChIInChI=1S/C17H23N3O3S/c1-13(2)20-7-6-14-12-15(4-5-16(14)20)17(21)18-8-10-19(11-9-18)24(3,22)23/h4-7,12-13H,8-11H2,1-3H3
InChIKeyLGLDPUFGHOJWPU-UHFFFAOYSA-N
XLogP1.94
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfonyl-1,4-diazepan-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 110809945
3-methyl-6-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110804558
(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545
2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305538
(3-iodophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252110
(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 39346910
[4-[ethyl(propan-2-yl)amino]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51128361
(4-methylsulfonylpiperazin-1-yl)-[4-(3-propan-2-ylphenyl)phenyl]methanone
CID 169277909
(3,5-dibromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 103907500
3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-oxo-2-[5-(4-propan-2-ylpiperazine-1-carbonyl)indol-1-yl]propanenitrile
CID 69015873
(2-methyl-1,3-benzoxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809951
(4-aminophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 119702202

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone (CID 71702232) is (4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone is CC(C)n1ccc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc21.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone?
The InChIKey is LGLDPUFGHOJWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-13(2)20-7-6-14-12-15(4-5-16(14)20)17(21)18-8-10-19(11-9-18)24(3,22)23/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone has a molecular weight of 349.46 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(1-propan-2-ylindol-5-yl)methanone is sourced from PubChem (CID 71702232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).