(5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide

C14H25N3O4S — CID 97476087

IUPAC(5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C14H25N3O4S/c1-15(2)22(19,20)16-8-6-14(11-16)10-12(5-9-21-14)17-7-3-4-13(17)18/h12H,3-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyWMISERPSMFGCPO-TZMCWYRMSA-N
MW331.44 g/mol
LogP0.04
Rot. Bonds3

About (5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide

(5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide (PubChem CID 97476087) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is (5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide.

Molecular Properties

Compound Name(5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide
PubChem CID97476087
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name(5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1
InChIInChI=1S/C14H25N3O4S/c1-15(2)22(19,20)16-8-6-14(11-16)10-12(5-9-21-14)17-7-3-4-13(17)18/h12H,3-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyWMISERPSMFGCPO-TZMCWYRMSA-N
XLogP0.04
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
The IUPAC name of (5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide (CID 97476087) is (5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide.
What is the SMILES notation for (5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
The canonical SMILES for (5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide is CN(C)S(=O)(=O)N1CC[C@@]2(C[C@H](N3CCCC3=O)CCO2)C1.
What is the InChIKey of (5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
The InChIKey is WMISERPSMFGCPO-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-15(2)22(19,20)16-8-6-14(11-16)10-12(5-9-21-14)17-7-3-4-13(17)18/h12H,3-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
(5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-N,N-dimethyl-9-(2-oxopyrrolidin-1-yl)-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide is sourced from PubChem (CID 97476087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).