8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]

C15H25NO2S — CID 58415141

IUPAC8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]
SMILESCC(C)C1CC2CCC(N2S(=O)(=O)C2CC2)C12CC2
InChIInChI=1S/C15H25NO2S/c1-10(2)13-9-11-3-6-14(15(13)7-8-15)16(11)19(17,18)12-4-5-12/h10-14H,3-9H2,1-2H3
InChIKeySTTLDOADHVRULZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.77
Rot. Bonds3

About 8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]

8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane] (PubChem CID 58415141) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane].

Molecular Properties

Compound Name8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]
PubChem CID58415141
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]
SMILESCC(C)C1CC2CCC(N2S(=O)(=O)C2CC2)C12CC2
InChIInChI=1S/C15H25NO2S/c1-10(2)13-9-11-3-6-14(15(13)7-8-15)16(11)19(17,18)12-4-5-12/h10-14H,3-9H2,1-2H3
InChIKeySTTLDOADHVRULZ-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]?
The IUPAC name of 8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane] (CID 58415141) is 8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane].
What is the SMILES notation for 8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]?
The canonical SMILES for 8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane] is CC(C)C1CC2CCC(N2S(=O)(=O)C2CC2)C12CC2.
What is the InChIKey of 8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]?
The InChIKey is STTLDOADHVRULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-10(2)13-9-11-3-6-14(15(13)7-8-15)16(11)19(17,18)12-4-5-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]?
8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane] has a molecular weight of 283.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-3-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane] is sourced from PubChem (CID 58415141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).