(4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone

C17H19N3O3S — CID 97441780

IUPAC(4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCn1c2ccccc2c2c1cc(C(=O)N1CCCC1)n2S(C)(=O)=O
InChIInChI=1S/C17H19N3O3S/c1-18-13-8-4-3-7-12(13)16-14(18)11-15(20(16)24(2,22)23)17(21)19-9-5-6-10-19/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyCFDFUQFJKNELER-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.18
Rot. Bonds2

About (4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone

(4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 97441780) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID97441780
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCn1c2ccccc2c2c1cc(C(=O)N1CCCC1)n2S(C)(=O)=O
InChIInChI=1S/C17H19N3O3S/c1-18-13-8-4-3-7-12(13)16-14(18)11-15(20(16)24(2,22)23)17(21)19-9-5-6-10-19/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyCFDFUQFJKNELER-UHFFFAOYSA-N
XLogP2.18
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 97441766
(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809906
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
4-(azepane-1-carbonyl)-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4991801
N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441908
2-amino-1-methyl-3-(piperidine-1-carbonyl)quinolin-4-one
CID 13143651
N,N,4-trimethyl-2-(2-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide
CID 131643767
N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide
CID 97441841
(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155829058
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 131654461

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone (CID 97441780) is (4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone is Cn1c2ccccc2c2c1cc(C(=O)N1CCCC1)n2S(C)(=O)=O.
What is the InChIKey of (4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is CFDFUQFJKNELER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-18-13-8-4-3-7-12(13)16-14(18)11-15(20(16)24(2,22)23)17(21)19-9-5-6-10-19/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of (4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone?
(4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 345.42 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97441780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).