5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide

C17H22N2O3S — CID 58356212

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C=C(C(N)=O)C3)C1
InChIInChI=1S/C17H22N2O3S/c1-11-5-12(2)10-19(9-11)23(21,22)16-4-3-13-6-15(17(18)20)7-14(13)8-16/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,18,20)
InChIKeyHDNXBCNHXVITOF-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.78
Rot. Bonds3

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide (PubChem CID 58356212) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide
PubChem CID58356212
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C=C(C(N)=O)C3)C1
InChIInChI=1S/C17H22N2O3S/c1-11-5-12(2)10-19(9-11)23(21,22)16-4-3-13-6-15(17(18)20)7-14(13)8-16/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,18,20)
InChIKeyHDNXBCNHXVITOF-UHFFFAOYSA-N
XLogP1.78
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 58356211
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079490
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
(4-acetylphenyl) 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2634805
(3R,5S)-1-[[7-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-9,10-dinitroso-9,10-dihydroanthracen-2-yl]sulfonyl]-3,5-dimethylpiperidine
CID 91193182

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide (CID 58356212) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide is CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C=C(C(N)=O)C3)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide?
The InChIKey is HDNXBCNHXVITOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11-5-12(2)10-19(9-11)23(21,22)16-4-3-13-6-15(17(18)20)7-14(13)8-16/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,18,20).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide is sourced from PubChem (CID 58356212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).