N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide

C14H24N4O4S2 — CID 86265062

IUPACN-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC2CC3CCC(C2)N3S(C)(=O)=O)c1
InChIInChI=1S/C14H24N4O4S2/c1-10(2)17-8-14(15-9-17)24(21,22)16-11-6-12-4-5-13(7-11)18(12)23(3,19)20/h8-13,16H,4-7H2,1-3H3
InChIKeySMRVFCYDISVLTH-UHFFFAOYSA-N
MW376.50 g/mol
LogP0.70
Rot. Bonds5

About N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide

N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 86265062) has the molecular formula C14H24N4O4S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID86265062
Molecular FormulaC14H24N4O4S2
Molecular Weight376.50 g/mol
Exact Mass376.12
IUPAC NameN-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC2CC3CCC(C2)N3S(C)(=O)=O)c1
InChIInChI=1S/C14H24N4O4S2/c1-10(2)17-8-14(15-9-17)24(21,22)16-11-6-12-4-5-13(7-11)18(12)23(3,19)20/h8-13,16H,4-7H2,1-3H3
InChIKeySMRVFCYDISVLTH-UHFFFAOYSA-N
XLogP0.70
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide with MolForge

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Related Compounds

1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine dihydrochloride
CID 165943498
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 71806315
1-((1-isopropyl-1H-imidazol-4-yl)sulfonyl)-4-((1-methyl-1H-imidazol-2-yl)sulfonyl)piperidine
CID 91625066
N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 84598067
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 86784600
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 86801792
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
CID 100628334
1,6-Bis(1-methyl-4-imidazolesulfonamido)hexane
CID 3028825
1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide
CID 3071456
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine
CID 62373439
1-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 62373282
1-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide
CID 82794648

Frequently Asked Questions

What is the IUPAC name of N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide (CID 86265062) is N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NC2CC3CCC(C2)N3S(C)(=O)=O)c1.
What is the InChIKey of N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is SMRVFCYDISVLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S2/c1-10(2)17-8-14(15-9-17)24(21,22)16-11-6-12-4-5-13(7-11)18(12)23(3,19)20/h8-13,16H,4-7H2,1-3H3.
What are the key properties of N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide?
N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 376.50 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 86265062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).