8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C10H20N2O2S — CID 134379972

IUPAC8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2S(C)(=O)=O
InChIInChI=1S/C10H20N2O2S/c1-8(2)11-6-9-4-5-10(7-11)12(9)15(3,13)14/h8-10H,4-7H2,1-3H3
InChIKeyOWLVSEJHDYTQJA-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.50
Rot. Bonds2

About 8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 134379972) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID134379972
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2S(C)(=O)=O
InChIInChI=1S/C10H20N2O2S/c1-8(2)11-6-9-4-5-10(7-11)12(9)15(3,13)14/h8-10H,4-7H2,1-3H3
InChIKeyOWLVSEJHDYTQJA-UHFFFAOYSA-N
XLogP0.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359855
2-Butyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359858
2-Cyclohexyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359907
Sdccgsbi-0662591.P001
CID 134791064
3-Methyl-8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octane
CID 129269529
3-Ethyl-8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octane
CID 137444481
3-Propan-2-yl-8-(4,4,4-trifluorobutylsulfonyl)-3,8-diazabicyclo[3.2.1]octane
CID 140929200
1-(3-Fluoropropylsulfonyl)-3-(4-methylpiperazin-1-yl)azepane
CID 75517831
2-(Methylsulfonyl)octahydropyrrolo[1,2-a]pyrazine
CID 22202527
N-methyl-N-(1-methylpiperidin-3-yl)methanesulfonamide
CID 54215494
N,N-dimethyl-1-methylsulfonylpiperidin-3-amine
CID 58035151
N-(2-piperidin-1-ylethyl)-N-propan-2-ylmethanesulfonamide
CID 58659540

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 134379972) is 8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1CC2CCC(C1)N2S(C)(=O)=O.
What is the InChIKey of 8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is OWLVSEJHDYTQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8(2)11-6-9-4-5-10(7-11)12(9)15(3,13)14/h8-10H,4-7H2,1-3H3.
What are the key properties of 8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 232.35 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 134379972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).