N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide

C11H20N2O3S — CID 103308054

IUPACN-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)C1CC12CCNCC2
InChIInChI=1S/C11H20N2O3S/c1-8(2)17(15,16)13-10(14)9-7-11(9)3-5-12-6-4-11/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyHXYFUEVWUBYISF-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.23
Rot. Bonds3

About N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide

N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 103308054) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID103308054
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)C1CC12CCNCC2
InChIInChI=1S/C11H20N2O3S/c1-8(2)17(15,16)13-10(14)9-7-11(9)3-5-12-6-4-11/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyHXYFUEVWUBYISF-UHFFFAOYSA-N
XLogP0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide (CID 103308054) is N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide is CC(C)S(=O)(=O)NC(=O)C1CC12CCNCC2.
What is the InChIKey of N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is HXYFUEVWUBYISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(2)17(15,16)13-10(14)9-7-11(9)3-5-12-6-4-11/h8-9,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide?
N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 103308054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).