N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide

C26H42N4O4S — CID 166097353

IUPACN-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide
SMILESCN(CC1CCOCC1)C1CCC(NS(=O)(=O)c2ccc(N3CCC4(CCCO4)CC3)nc2)CC1
InChIInChI=1S/C26H42N4O4S/c1-29(20-21-9-17-33-18-10-21)23-5-3-22(4-6-23)28-35(31,32)24-7-8-25(27-19-24)30-14-12-26(13-15-30)11-2-16-34-26/h7-8,19,21-23,28H,2-6,9-18,20H2,1H3
InChIKeyGNEMTYQIUSWVKT-UHFFFAOYSA-N
MW506.71 g/mol
LogP3.18
Rot. Bonds7

About N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide

N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide (PubChem CID 166097353) has the molecular formula C26H42N4O4S and a molecular weight of 506.71 g/mol. Its IUPAC name is N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide
PubChem CID166097353
Molecular FormulaC26H42N4O4S
Molecular Weight506.71 g/mol
Exact Mass506.29
IUPAC NameN-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide
SMILESCN(CC1CCOCC1)C1CCC(NS(=O)(=O)c2ccc(N3CCC4(CCCO4)CC3)nc2)CC1
InChIInChI=1S/C26H42N4O4S/c1-29(20-21-9-17-33-18-10-21)23-5-3-22(4-6-23)28-35(31,32)24-7-8-25(27-19-24)30-14-12-26(13-15-30)11-2-16-34-26/h7-8,19,21-23,28H,2-6,9-18,20H2,1H3
InChIKeyGNEMTYQIUSWVKT-UHFFFAOYSA-N
XLogP3.18
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide with MolForge

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Related Compounds

[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonylamino]cyclohexyl]carbamic acid
CID 174214991
N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(2-oxo-1,3-oxazolidin-3-yl)pyridine-3-sulfonamide
CID 166097364
N-[4-[2-(2,5-difluorophenyl)ethylamino]cyclohexyl]-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide
CID 166097448
6-morpholin-4-yl-N-propan-2-ylpyridine-3-sulfonamide
CID 58525227
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 166097378
N-[4-[benzyl(methyl)amino]cyclohexyl]-6-(dimethylamino)pyridine-3-sulfonamide
CID 166097338
N-methyl-N-(oxan-4-ylmethyl)cyclopropanamine
CID 70661195
N-benzyl-6-morpholin-4-ylpyridine-3-sulfonamide
CID 154844946
N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 81107725
N-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166097427
N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133317803
N-cyclopropyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
CID 96664604

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide?
The IUPAC name of N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide (CID 166097353) is N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide is CN(CC1CCOCC1)C1CCC(NS(=O)(=O)c2ccc(N3CCC4(CCCO4)CC3)nc2)CC1.
What is the InChIKey of N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide?
The InChIKey is GNEMTYQIUSWVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O4S/c1-29(20-21-9-17-33-18-10-21)23-5-3-22(4-6-23)28-35(31,32)24-7-8-25(27-19-24)30-14-12-26(13-15-30)11-2-16-34-26/h7-8,19,21-23,28H,2-6,9-18,20H2,1H3.
What are the key properties of N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide?
N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide has a molecular weight of 506.71 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 166097353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).