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

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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).