1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one

C15H19N3O4S — CID 110804490

IUPAC1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc21
InChIInChI=1S/C15H19N3O4S/c1-16-13-4-3-11(9-12(13)10-14(16)19)15(20)17-5-7-18(8-6-17)23(2,21)22/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCAXFCBDTRWDSOL-UHFFFAOYSA-N
MW337.40 g/mol
LogP-0.08
Rot. Bonds2

About 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one

1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one (PubChem CID 110804490) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one
PubChem CID110804490
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc21
InChIInChI=1S/C15H19N3O4S/c1-16-13-4-3-11(9-12(13)10-14(16)19)15(20)17-5-7-18(8-6-17)23(2,21)22/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCAXFCBDTRWDSOL-UHFFFAOYSA-N
XLogP-0.08
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 110809890
5-(4-hydroxypiperidine-1-carbonyl)-1-methyl-3H-indol-2-one
CID 96669462
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-3H-indol-2-one
CID 53160576
4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813511
1-methyl-5-(4-pentanoyl-1,4-diazepane-1-carbonyl)-3H-indol-2-one
CID 110806698
2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305538
(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545
4-methyl-6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,4-benzoxazin-3-one
CID 110809924
5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110809888
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-one
CID 75461426
3-methyl-6-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
CID 110804558

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one (CID 110804490) is 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)ccc21.
What is the InChIKey of 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one?
The InChIKey is CAXFCBDTRWDSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-16-13-4-3-11(9-12(13)10-14(16)19)15(20)17-5-7-18(8-6-17)23(2,21)22/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one?
1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one has a molecular weight of 337.40 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-3H-indol-2-one is sourced from PubChem (CID 110804490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).