2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid

C15H18N2O4S — CID 20888287

IUPAC2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid
SMILESO=C(O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C15H18N2O4S/c18-15(19)11-16-9-6-12-10-13(4-5-14(12)16)22(20,21)17-7-2-1-3-8-17/h4-6,9-10H,1-3,7-8,11H2,(H,18,19)
InChIKeyWWECUJGACLOSMZ-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.90
Rot. Bonds4

About 2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid

2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid (PubChem CID 20888287) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid
PubChem CID20888287
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid
SMILESO=C(O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C15H18N2O4S/c18-15(19)11-16-9-6-12-10-13(4-5-14(12)16)22(20,21)17-7-2-1-3-8-17/h4-6,9-10H,1-3,7-8,11H2,(H,18,19)
InChIKeyWWECUJGACLOSMZ-UHFFFAOYSA-N
XLogP1.90
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
CID 20918962
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20918879
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 20919001
N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 46278693
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 98472786
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20918891
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918968
(2S)-1-piperidin-1-yl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propan-1-one
CID 92723142
(2R)-1-piperidin-1-yl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propan-1-one
CID 92723143
2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918800
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745
3-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 46278529

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid?
The IUPAC name of 2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid (CID 20888287) is 2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid?
The canonical SMILES for 2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid is O=C(O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid?
The InChIKey is WWECUJGACLOSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c18-15(19)11-16-9-6-12-10-13(4-5-14(12)16)22(20,21)17-7-2-1-3-8-17/h4-6,9-10H,1-3,7-8,11H2,(H,18,19).
What are the key properties of 2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid?
2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid has a molecular weight of 322.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid is sourced from PubChem (CID 20888287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).