N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide

C19H30N2O3S — CID 90591149

IUPACN-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCS(=O)(=O)C1CC2CCC(C1)N2C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N2O3S/c1-25(23,24)17-7-15-2-3-16(8-17)21(15)18(22)20-19-9-12-4-13(10-19)6-14(5-12)11-19/h12-17H,2-11H2,1H3,(H,20,22)
InChIKeyJYVGXZJJAGWWSA-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.70
Rot. Bonds2

About N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 90591149) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID90591149
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCS(=O)(=O)C1CC2CCC(C1)N2C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N2O3S/c1-25(23,24)17-7-15-2-3-16(8-17)21(15)18(22)20-19-9-12-4-13(10-19)6-14(5-12)11-19/h12-17H,2-11H2,1H3,(H,20,22)
InChIKeyJYVGXZJJAGWWSA-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186684
2,2,2-trifluoro-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90591079
2-cyclopentyl-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90590789
N-(1-adamantyl)-3-methylpiperidine-1-carboxamide
CID 5141458
3-methylsulfonyl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 90591134
N-(1-adamantyl)-2-methylpiperidine-1-carboxamide
CID 2981068
3-methoxy-1-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 90590991
2-cyclopentylsulfanyl-1-[(1R,5S)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 129373887
(2R,6R)-N-(1-adamantyl)-2,6-dimethylmorpholine-4-carboxamide
CID 7309747
N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 51075647
(2,6-difluorophenyl)-[(1S,5R)-3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129373883
(2,6-difluorophenyl)-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90591045

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 90591149) is N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide is CS(=O)(=O)C1CC2CCC(C1)N2C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is JYVGXZJJAGWWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-25(23,24)17-7-15-2-3-16(8-17)21(15)18(22)20-19-9-12-4-13(10-19)6-14(5-12)11-19/h12-17H,2-11H2,1H3,(H,20,22).
What are the key properties of N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-methylsulfonyl-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 90591149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).