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

C12H23N3O4S — CID 97420110

IUPAC(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1
InChIInChI=1S/C12H23N3O4S/c1-14(2)11(16)15-6-5-12(9-15)8-10(4-7-19-12)13-20(3,17)18/h10,13H,4-9H2,1-3H3/t10-,12+/m0/s1
InChIKeyPKQNNEFRPOZKEH-CMPLNLGQSA-N
MW305.40 g/mol
LogP-0.16
Rot. Bonds2

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

(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 97420110) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID97420110
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1
InChIInChI=1S/C12H23N3O4S/c1-14(2)11(16)15-6-5-12(9-15)8-10(4-7-19-12)13-20(3,17)18/h10,13H,4-9H2,1-3H3/t10-,12+/m0/s1
InChIKeyPKQNNEFRPOZKEH-CMPLNLGQSA-N
XLogP-0.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 97420110) is (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide is CN(C)C(=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-carboxamide?
The InChIKey is PKQNNEFRPOZKEH-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-14(2)11(16)15-6-5-12(9-15)8-10(4-7-19-12)13-20(3,17)18/h10,13H,4-9H2,1-3H3/t10-,12+/m0/s1.
What are the key properties of (5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide?
(5R,9S)-9-(methanesulfonamido)-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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-carboxamide is sourced from PubChem (CID 97420110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).