5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide

C17H24BrN3O4S — CID 167814002

IUPAC5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1cc(Br)cnc1NC1COC2(CCCC2)OC1
InChIInChI=1S/C17H24BrN3O4S/c1-21(14-4-5-14)26(22,23)15-8-12(18)9-19-16(15)20-13-10-24-17(25-11-13)6-2-3-7-17/h8-9,13-14H,2-7,10-11H2,1H3,(H,19,20)
InChIKeyDDGDTHFKKLHNIF-UHFFFAOYSA-N
MW446.37 g/mol
LogP2.72
Rot. Bonds5

About 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide

5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide (PubChem CID 167814002) has the molecular formula C17H24BrN3O4S and a molecular weight of 446.37 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide
PubChem CID167814002
Molecular FormulaC17H24BrN3O4S
Molecular Weight446.37 g/mol
Exact Mass445.07
IUPAC Name5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1cc(Br)cnc1NC1COC2(CCCC2)OC1
InChIInChI=1S/C17H24BrN3O4S/c1-21(14-4-5-14)26(22,23)15-8-12(18)9-19-16(15)20-13-10-24-17(25-11-13)6-2-3-7-17/h8-9,13-14H,2-7,10-11H2,1H3,(H,19,20)
InChIKeyDDGDTHFKKLHNIF-UHFFFAOYSA-N
XLogP2.72
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 62159209
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102632674
5-bromo-2-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-sulfonamide
CID 114950111
2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113278224
5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 63656152
5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62855898
5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 62157132
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61299703
5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 63706424
5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152814

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide (CID 167814002) is 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide is CN(C1CC1)S(=O)(=O)c1cc(Br)cnc1NC1COC2(CCCC2)OC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide?
The InChIKey is DDGDTHFKKLHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O4S/c1-21(14-4-5-14)26(22,23)15-8-12(18)9-19-16(15)20-13-10-24-17(25-11-13)6-2-3-7-17/h8-9,13-14H,2-7,10-11H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide?
5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide has a molecular weight of 446.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 167814002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).