N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide

C19H27N3O4S — CID 9061003

IUPACN-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
SMILESC[C@@H]1CCC[C@@H](C)C1=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H27N3O4S/c1-14-5-3-6-15(2)18(14)20-21-19(23)16-7-4-8-17(13-16)27(24,25)22-9-11-26-12-10-22/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3,(H,21,23)/t14-,15-/m1/s1
InChIKeyRQZIZLXRIIBTFM-HUUCEWRRSA-N
MW393.51 g/mol
LogP2.25
Rot. Bonds4

About N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide

N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 9061003) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID9061003
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
SMILESC[C@@H]1CCC[C@@H](C)C1=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H27N3O4S/c1-14-5-3-6-15(2)18(14)20-21-19(23)16-7-4-8-17(13-16)27(24,25)22-9-11-26-12-10-22/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3,(H,21,23)/t14-,15-/m1/s1
InChIKeyRQZIZLXRIIBTFM-HUUCEWRRSA-N
XLogP2.25
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071
N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061050
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 5109033
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7981258
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 52568346

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide (CID 9061003) is N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide is C[C@@H]1CCC[C@@H](C)C1=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RQZIZLXRIIBTFM-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-5-3-6-15(2)18(14)20-21-19(23)16-7-4-8-17(13-16)27(24,25)22-9-11-26-12-10-22/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3,(H,21,23)/t14-,15-/m1/s1.
What are the key properties of N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide?
N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 393.51 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 9061003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).