cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C18H23NO5S — CID 68795215

IUPACcis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C([C@H]1CCC[C@@]1(C(=O)O)S(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H23NO5S/c20-16(19-12-5-2-6-13-19)15-10-7-11-18(15,17(21)22)25(23,24)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,21,22)/t15-,18-/m1/s1
InChIKeyAZBFWURGWTXQLH-CRAIPNDOSA-N
MW365.45 g/mol
LogP2.10
Rot. Bonds4

About cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid

cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 68795215) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID68795215
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Namecis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C([C@H]1CCC[C@@]1(C(=O)O)S(=O)(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C18H23NO5S/c20-16(19-12-5-2-6-13-19)15-10-7-11-18(15,17(21)22)25(23,24)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,21,22)/t15-,18-/m1/s1
InChIKeyAZBFWURGWTXQLH-CRAIPNDOSA-N
XLogP2.10
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzenesulfonyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 23854238
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
CID 90589378
[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
CID 90589335
1-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251462
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712585
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
CID 110661911
[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
CID 110661946
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 68795215) is cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid is O=C([C@H]1CCC[C@@]1(C(=O)O)S(=O)(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is AZBFWURGWTXQLH-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H23NO5S/c20-16(19-12-5-2-6-13-19)15-10-7-11-18(15,17(21)22)25(23,24)14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,21,22)/t15-,18-/m1/s1.
What are the key properties of cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 365.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-(benzenesulfonyl)-2-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 68795215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).