(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide

C11H23N3O5S2 — CID 97420111

IUPAC(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1
InChIInChI=1S/C11H23N3O5S2/c1-13(2)21(17,18)14-6-5-11(9-14)8-10(4-7-19-11)12-20(3,15)16/h10,12H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyPJHGSWLJJIGUBP-WDEREUQCSA-N
MW341.46 g/mol
LogP-1.03
Rot. Bonds4

About (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide

(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide (PubChem CID 97420111) has the molecular formula C11H23N3O5S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide.

Molecular Properties

Compound Name(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide
PubChem CID97420111
Molecular FormulaC11H23N3O5S2
Molecular Weight341.46 g/mol
Exact Mass341.11
IUPAC Name(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1
InChIInChI=1S/C11H23N3O5S2/c1-13(2)21(17,18)14-6-5-11(9-14)8-10(4-7-19-11)12-20(3,15)16/h10,12H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyPJHGSWLJJIGUBP-WDEREUQCSA-N
XLogP-1.03
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide with MolForge

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Related Compounds

N-[(5R,9S)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420109
N-[(5R,9R)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420134
N-[(5R,9S)-2-methyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97476102
N-[(5R,9S)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97477925
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97485996
N,2-dimethyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]propane-2-sulfonamide
CID 135237429
N-ethyl-N-[3-[(2-ethyl-2-methyloxan-4-yl)amino]propyl]methanesulfonamide
CID 64101829
N-ethyl-N-[3-(6-oxaspiro[4.5]decan-9-ylamino)propyl]methanesulfonamide
CID 79902855
N-(2,2-diethyloxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 83029325
N-(2,2-diethyloxan-4-yl)pyrrolidine-3-sulfonamide
CID 83039444
N-[(5R,9S)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420107
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420108

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
The IUPAC name of (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide (CID 97420111) is (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide.
What is the SMILES notation for (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
The canonical SMILES for (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide is CN(C)S(=O)(=O)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1.
What is the InChIKey of (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
The InChIKey is PJHGSWLJJIGUBP-WDEREUQCSA-N. The full InChI is InChI=1S/C11H23N3O5S2/c1-13(2)21(17,18)14-6-5-11(9-14)8-10(4-7-19-11)12-20(3,15)16/h10,12H,4-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of -1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide is sourced from PubChem (CID 97420111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).