2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine

C11H23N3O2S — CID 79175365

IUPAC2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine
SMILESCC(CN)S(=O)(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C11H23N3O2S/c1-9(7-12)17(15,16)14-6-5-10-3-4-11(8-14)13(10)2/h9-11H,3-8,12H2,1-2H3
InChIKeyXBAUANOVFCDKTO-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.17
Rot. Bonds3

About 2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine

2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine (PubChem CID 79175365) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine.

Molecular Properties

Compound Name2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine
PubChem CID79175365
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine
SMILESCC(CN)S(=O)(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C11H23N3O2S/c1-9(7-12)17(15,16)14-6-5-10-3-4-11(8-14)13(10)2/h9-11H,3-8,12H2,1-2H3
InChIKeyXBAUANOVFCDKTO-UHFFFAOYSA-N
XLogP-0.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine?
The IUPAC name of 2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine (CID 79175365) is 2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine.
What is the SMILES notation for 2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine?
The canonical SMILES for 2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine is CC(CN)S(=O)(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine?
The InChIKey is XBAUANOVFCDKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-9(7-12)17(15,16)14-6-5-10-3-4-11(8-14)13(10)2/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine?
2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]propan-1-amine is sourced from PubChem (CID 79175365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).