N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

C12H24N2O3S — CID 97420108

IUPACN-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCC(C)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1
InChIInChI=1S/C12H24N2O3S/c1-10(2)14-6-5-12(9-14)8-11(4-7-17-12)13-18(3,15)16/h10-11,13H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyFOEPHVVXXUREPB-NWDGAFQWSA-N
MW276.40 g/mol
LogP0.57
Rot. Bonds3

About N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 97420108) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID97420108
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCC(C)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1
InChIInChI=1S/C12H24N2O3S/c1-10(2)14-6-5-12(9-14)8-11(4-7-17-12)13-18(3,15)16/h10-11,13H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyFOEPHVVXXUREPB-NWDGAFQWSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 97420108) is N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.
What is the SMILES notation for N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is CC(C)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1.
What is the InChIKey of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is FOEPHVVXXUREPB-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10(2)14-6-5-12(9-14)8-11(4-7-17-12)13-18(3,15)16/h10-11,13H,4-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 97420108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).