N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide

C15H24N2O2S2 — CID 61232487

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C15H24N2O2S2/c1-4-17(14-8-12-5-6-13(9-14)16-12)21(18,19)15-7-10(2)20-11(15)3/h7,12-14,16H,4-6,8-9H2,1-3H3
InChIKeyCHNLDCZDGFJDCX-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.66
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 61232487) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
PubChem CID61232487
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C15H24N2O2S2/c1-4-17(14-8-12-5-6-13(9-14)16-12)21(18,19)15-7-10(2)20-11(15)3/h7,12-14,16H,4-6,8-9H2,1-3H3
InChIKeyCHNLDCZDGFJDCX-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide (CID 61232487) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide is CCN(C1CC2CCC(C1)N2)S(=O)(=O)c1cc(C)sc1C.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is CHNLDCZDGFJDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-4-17(14-8-12-5-6-13(9-14)16-12)21(18,19)15-7-10(2)20-11(15)3/h7,12-14,16H,4-6,8-9H2,1-3H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 61232487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).