N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide

C20H28N2O3S — CID 98124870

IUPACN-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C20H28N2O3S/c1-19(2)10-16-11-20(3,12-19)13-22(16)26(24,25)17-6-4-5-15(9-17)21-18(23)14-7-8-14/h4-6,9,14,16H,7-8,10-13H2,1-3H3,(H,21,23)/t16-,20+/m0/s1
InChIKeyUIIAODUJUMDQCH-OXJNMPFZSA-N
MW376.52 g/mol
LogP3.62
Rot. Bonds4

About N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide

N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide (PubChem CID 98124870) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide
PubChem CID98124870
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C20H28N2O3S/c1-19(2)10-16-11-20(3,12-19)13-22(16)26(24,25)17-6-4-5-15(9-17)21-18(23)14-7-8-14/h4-6,9,14,16H,7-8,10-13H2,1-3H3,(H,21,23)/t16-,20+/m0/s1
InChIKeyUIIAODUJUMDQCH-OXJNMPFZSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

4-fluoro-N-[3-[[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]benzamide
CID 26314487
6-(benzenesulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 60639753
N-butyl-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide
CID 98360480
N-(pyridin-4-ylmethyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzamide
CID 24538423
(2-amino-2-oxoethyl) 3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzoate
CID 98342984
4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoic acid
CID 3705367
(2-oxo-1,2-diphenylethyl) 3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoate
CID 23996401
[2-(carbamoylamino)-2-oxoethyl] 3-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzoate
CID 30825451
[2-(carbamoylamino)-2-oxoethyl] 3-[[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzoate
CID 30825450
[2-(benzylamino)-2-oxoethyl] 3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzoate
CID 50935635
(4-cyanophenyl)methyl 3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzoate
CID 50904819
(4-cyanophenyl)methyl 3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzoate
CID 98289427

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide (CID 98124870) is N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide is CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(NC(=O)C3CC3)c2)C1.
What is the InChIKey of N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide?
The InChIKey is UIIAODUJUMDQCH-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-19(2)10-16-11-20(3,12-19)13-22(16)26(24,25)17-6-4-5-15(9-17)21-18(23)14-7-8-14/h4-6,9,14,16H,7-8,10-13H2,1-3H3,(H,21,23)/t16-,20+/m0/s1.
What are the key properties of N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide?
N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide has a molecular weight of 376.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 98124870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).