2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide

C13H24N2O4S — CID 128586353

IUPAC2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide
SMILESCC1OCCC1S(=O)(=O)NCCN1CC2CCC(C1)O2
InChIInChI=1S/C13H24N2O4S/c1-10-13(4-7-18-10)20(16,17)14-5-6-15-8-11-2-3-12(9-15)19-11/h10-14H,2-9H2,1H3
InChIKeyKQUFUMPQLHOOBG-UHFFFAOYSA-N
MW304.41 g/mol
LogP-0.05
Rot. Bonds5

About 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide

2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide (PubChem CID 128586353) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide
PubChem CID128586353
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide
SMILESCC1OCCC1S(=O)(=O)NCCN1CC2CCC(C1)O2
InChIInChI=1S/C13H24N2O4S/c1-10-13(4-7-18-10)20(16,17)14-5-6-15-8-11-2-3-12(9-15)19-11/h10-14H,2-9H2,1H3
InChIKeyKQUFUMPQLHOOBG-UHFFFAOYSA-N
XLogP-0.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide with MolForge

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Related Compounds

(2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide
CID 129446480
N-(cyanomethyl)-2-methyloxolane-3-sulfonamide
CID 130689692
(2R,3R)-2-methyl-N-[2-(3,4,5-trifluorophenyl)ethyl]oxolane-3-sulfonamide
CID 99857548
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66393443
3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclohexan-1-amine
CID 66372208
(2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide
CID 136582577
5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide
CID 128586351
(2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide
CID 99857529
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]butan-1-amine
CID 66372207
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propan-2-ylpropan-1-amine
CID 66391696
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentanamine
CID 66369856

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide (CID 128586353) is 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide is CC1OCCC1S(=O)(=O)NCCN1CC2CCC(C1)O2.
What is the InChIKey of 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide?
The InChIKey is KQUFUMPQLHOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-10-13(4-7-18-10)20(16,17)14-5-6-15-8-11-2-3-12(9-15)19-11/h10-14H,2-9H2,1H3.
What are the key properties of 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide?
2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide has a molecular weight of 304.41 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide is sourced from PubChem (CID 128586353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).