1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide

C16H26N2O5S — CID 166376672

IUPAC1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(C(=O)C23CC4CC(O)(CC(O)(C4)C2)C3)C1
InChIInChI=1S/C16H26N2O5S/c1-17-24(22,23)12-2-3-18(7-12)13(19)14-4-11-5-15(20,8-14)10-16(21,6-11)9-14/h11-12,17,20-21H,2-10H2,1H3
InChIKeySPFHLEQNPRDXKV-UHFFFAOYSA-N
MW358.46 g/mol
LogP-0.42
Rot. Bonds3

About 1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide

1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide (PubChem CID 166376672) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide
PubChem CID166376672
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(C(=O)C23CC4CC(O)(CC(O)(C4)C2)C3)C1
InChIInChI=1S/C16H26N2O5S/c1-17-24(22,23)12-2-3-18(7-12)13(19)14-4-11-5-15(20,8-14)10-16(21,6-11)9-14/h11-12,17,20-21H,2-10H2,1H3
InChIKeySPFHLEQNPRDXKV-UHFFFAOYSA-N
XLogP-0.42
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-adamantyl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805518
1-adamantyl-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414910
N-[1-(3-ethyl-5-hydroxyadamantane-1-carbonyl)piperidin-4-yl]methanesulfonamide
CID 131943026
(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79423039
1-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120552016
(3-ethyl-5-hydroxy-1-adamantyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 131899706
(3R)-1-[(2S)-3-(4-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide
CID 97244120
(4-bromopiperidin-1-yl)-(3,5-dimethyl-1-adamantyl)methanone
CID 80655445
1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
CID 114509932
1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 98512410
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]pyrrolidine-1-carboxylate
CID 166071281
(3,5-dimethyl-1-adamantyl)-(4-methylpiperazin-1-yl)methanone chloride
CID 53351415

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide (CID 166376672) is 1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide is CNS(=O)(=O)C1CCN(C(=O)C23CC4CC(O)(CC(O)(C4)C2)C3)C1.
What is the InChIKey of 1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is SPFHLEQNPRDXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-17-24(22,23)12-2-3-18(7-12)13(19)14-4-11-5-15(20,8-14)10-16(21,6-11)9-14/h11-12,17,20-21H,2-10H2,1H3.
What are the key properties of 1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide?
1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxyadamantane-1-carbonyl)-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 166376672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).