(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone

C19H26N4O3S — CID 46977726

IUPAC(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc2c(c1)cc(C(=O)N1CCN(S(=O)(=O)N3CCCC3)CC1)n2C
InChIInChI=1S/C19H26N4O3S/c1-15-5-6-17-16(13-15)14-18(20(17)2)19(24)21-9-11-23(12-10-21)27(25,26)22-7-3-4-8-22/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyJCXLCUNGIUMYCT-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.59
Rot. Bonds3

About (1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone

(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 46977726) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
PubChem CID46977726
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc2c(c1)cc(C(=O)N1CCN(S(=O)(=O)N3CCCC3)CC1)n2C
InChIInChI=1S/C19H26N4O3S/c1-15-5-6-17-16(13-15)14-18(20(17)2)19(24)21-9-11-23(12-10-21)27(25,26)22-7-3-4-8-22/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyJCXLCUNGIUMYCT-UHFFFAOYSA-N
XLogP1.59
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethylindol-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 46979809
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide
CID 118100925
(1,5-dimethylindol-2-yl)-piperazin-1-ylmethanone
CID 110833415
(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110853525
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
(1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134706914
[(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 92632990
[4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246401
azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone
CID 22579699
(5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71828608

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone (CID 46977726) is (1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone is Cc1ccc2c(c1)cc(C(=O)N1CCN(S(=O)(=O)N3CCCC3)CC1)n2C.
What is the InChIKey of (1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is JCXLCUNGIUMYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-15-5-6-17-16(13-15)14-18(20(17)2)19(24)21-9-11-23(12-10-21)27(25,26)22-7-3-4-8-22/h5-6,13-14H,3-4,7-12H2,1-2H3.
What are the key properties of (1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone?
(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 390.51 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 46977726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).