2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane

C10H20N2O2S — CID 71158425

IUPAC2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1CC2CC1CN2S(=O)(=O)C(C)C
InChIInChI=1S/C10H20N2O2S/c1-4-11-6-10-5-9(11)7-12(10)15(13,14)8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyRYPIZBUGQQYZAV-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.50
Rot. Bonds3

About 2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane

2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 71158425) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID71158425
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1CC2CC1CN2S(=O)(=O)C(C)C
InChIInChI=1S/C10H20N2O2S/c1-4-11-6-10-5-9(11)7-12(10)15(13,14)8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyRYPIZBUGQQYZAV-UHFFFAOYSA-N
XLogP0.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-[4-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 51360710
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
2-Cyclohexyl-4-piperidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359916
2-Cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359920
1-Cyclopentyl-4-(ethylsulfonyl)piperazine
CID 740709
2-Butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359861
2-Cyclopentyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51360708
N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51360716
2-Cyclopentyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51360717
2-Butyl-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51360718

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane (CID 71158425) is 2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane is CCN1CC2CC1CN2S(=O)(=O)C(C)C.
What is the InChIKey of 2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is RYPIZBUGQQYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-4-11-6-10-5-9(11)7-12(10)15(13,14)8(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane?
2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 232.35 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 71158425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).