N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide

C26H38N4O4S — CID 69080854

IUPACN-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCC1CCCCN1S(=O)(=O)c1ccc(N2CCOCC2)nc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H38N4O4S/c31-25(26-14-19-11-20(15-26)13-21(12-19)16-26)28-17-22-3-1-2-6-30(22)35(32,33)23-4-5-24(27-18-23)29-7-9-34-10-8-29/h4-5,18-22H,1-3,6-17H2,(H,28,31)
InChIKeyPIBZZQBZSNGJOU-UHFFFAOYSA-N
MW502.68 g/mol
LogP2.79
Rot. Bonds6

About N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide

N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide (PubChem CID 69080854) has the molecular formula C26H38N4O4S and a molecular weight of 502.68 g/mol. Its IUPAC name is N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide
PubChem CID69080854
Molecular FormulaC26H38N4O4S
Molecular Weight502.68 g/mol
Exact Mass502.26
IUPAC NameN-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCC1CCCCN1S(=O)(=O)c1ccc(N2CCOCC2)nc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H38N4O4S/c31-25(26-14-19-11-20(15-26)13-21(12-19)16-26)28-17-22-3-1-2-6-30(22)35(32,33)23-4-5-24(27-18-23)29-7-9-34-10-8-29/h4-5,18-22H,1-3,6-17H2,(H,28,31)
InChIKeyPIBZZQBZSNGJOU-UHFFFAOYSA-N
XLogP2.79
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide with MolForge

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Related Compounds

N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 42634675
N-[[1-(3-aminophenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 70266978
N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18133630
N-[[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 69081431
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 91398152
N-[[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 69082954
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide
CID 122318757
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]adamantane-1-carboxamide
CID 46519976
N-[2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]ethyl]adamantane-1-carboxamide
CID 69082790
3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 42930977
N-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]azepan-3-yl]prop-2-enamide
CID 89236153
4-[5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]-2-pyridinyl]morpholine
CID 25191579

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide (CID 69080854) is N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide is O=C(NCC1CCCCN1S(=O)(=O)c1ccc(N2CCOCC2)nc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide?
The InChIKey is PIBZZQBZSNGJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4S/c31-25(26-14-19-11-20(15-26)13-21(12-19)16-26)28-17-22-3-1-2-6-30(22)35(32,33)23-4-5-24(27-18-23)29-7-9-34-10-8-29/h4-5,18-22H,1-3,6-17H2,(H,28,31).
What are the key properties of N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide?
N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide has a molecular weight of 502.68 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-2-yl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 69080854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).