[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone

C20H29N3O3S — CID 70792595

IUPAC[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)C(C(=O)N2CCCC2)N3)CC1
InChIInChI=1S/C20H29N3O3S/c1-14-7-11-23(12-8-14)27(25,26)16-5-6-18-17(13-16)15(2)19(21-18)20(24)22-9-3-4-10-22/h5-6,13-15,19,21H,3-4,7-12H2,1-2H3
InChIKeyPPOAUCINFXWPKB-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.63
Rot. Bonds3

About [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone

[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 70792595) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID70792595
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)C(C(=O)N2CCCC2)N3)CC1
InChIInChI=1S/C20H29N3O3S/c1-14-7-11-23(12-8-14)27(25,26)16-5-6-18-17(13-16)15(2)19(21-18)20(24)22-9-3-4-10-22/h5-6,13-15,19,21H,3-4,7-12H2,1-2H3
InChIKeyPPOAUCINFXWPKB-UHFFFAOYSA-N
XLogP2.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 113003143
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
7-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20927898
[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
CID 113003064
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
(2R)-2-ethyl-6-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 93058015
1-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 53030619
azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 24667255
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone (CID 70792595) is [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone is CC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)C(C(=O)N2CCCC2)N3)CC1.
What is the InChIKey of [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PPOAUCINFXWPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-14-7-11-23(12-8-14)27(25,26)16-5-6-18-17(13-16)15(2)19(21-18)20(24)22-9-3-4-10-22/h5-6,13-15,19,21H,3-4,7-12H2,1-2H3.
What are the key properties of [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone?
[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 391.54 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 70792595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).