(5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide

C15H27N3O4S — CID 97474822

IUPAC(5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@]2(CCC[C@@H](CN3CCCC3=O)O2)C1
InChIInChI=1S/C15H27N3O4S/c1-16(2)23(20,21)18-10-8-15(12-18)7-3-5-13(22-15)11-17-9-4-6-14(17)19/h13H,3-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyRSAJABONOGHMNF-DZGCQCFKSA-N
MW345.47 g/mol
LogP0.43
Rot. Bonds4

About (5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide

(5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide (PubChem CID 97474822) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is (5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide.

Molecular Properties

Compound Name(5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide
PubChem CID97474822
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name(5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@]2(CCC[C@@H](CN3CCCC3=O)O2)C1
InChIInChI=1S/C15H27N3O4S/c1-16(2)23(20,21)18-10-8-15(12-18)7-3-5-13(22-15)11-17-9-4-6-14(17)19/h13H,3-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyRSAJABONOGHMNF-DZGCQCFKSA-N
XLogP0.43
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
The IUPAC name of (5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide (CID 97474822) is (5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide.
What is the SMILES notation for (5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
The canonical SMILES for (5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide is CN(C)S(=O)(=O)N1CC[C@]2(CCC[C@@H](CN3CCCC3=O)O2)C1.
What is the InChIKey of (5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
The InChIKey is RSAJABONOGHMNF-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-16(2)23(20,21)18-10-8-15(12-18)7-3-5-13(22-15)11-17-9-4-6-14(17)19/h13H,3-12H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide?
(5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide has a molecular weight of 345.47 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N,N-dimethyl-7-[(2-oxopyrrolidin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane-2-sulfonamide is sourced from PubChem (CID 97474822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).