(3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide

C19H32N2O3S — CID 51941058

IUPAC(3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C19H32N2O3S/c1-2-6-25(23,24)21-5-3-4-17(13-21)18(22)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,2-13H2,1H3,(H,20,22)/t14?,15?,16?,17-,19?/m0/s1
InChIKeyPLPVELUOTUYUKM-WCWCZOKXSA-N
MW368.54 g/mol
LogP2.52
Rot. Bonds5

About (3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide

(3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 51941058) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is (3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID51941058
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name(3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C19H32N2O3S/c1-2-6-25(23,24)21-5-3-4-17(13-21)18(22)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,2-13H2,1H3,(H,20,22)/t14?,15?,16?,17-,19?/m0/s1
InChIKeyPLPVELUOTUYUKM-WCWCZOKXSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 51075647
(3R)-N-(1-adamantyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 99719214
ethyl 1-[(1-propylsulfonylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 55801599
N-(1-cyclopropylcyclopropyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126810680
(3S)-N-(1-adamantyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 27650304
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
N-(1-adamantyl)-1-(5-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3230744
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 94101912
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 51941058) is (3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of (3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is PLPVELUOTUYUKM-WCWCZOKXSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-2-6-25(23,24)21-5-3-4-17(13-21)18(22)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,2-13H2,1H3,(H,20,22)/t14?,15?,16?,17-,19?/m0/s1.
What are the key properties of (3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide?
(3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 368.54 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-adamantyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51941058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).