(4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide

C16H26N4O2S — CID 75411853

IUPAC(4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide
SMILESCc1csc(NC(=O)[C@@H]2CCC[C@@H](N(C)C)CN(C)C(=O)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-11-10-23-16(17-11)18-15(22)12-6-5-7-13(19(2)3)9-20(4)14(21)8-12/h10,12-13H,5-9H2,1-4H3,(H,17,18,22)/t12-,13-/m1/s1
InChIKeyUJQRZDQAIZMORD-CHWSQXEVSA-N
MW338.48 g/mol
LogP1.97
Rot. Bonds3

About (4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide

(4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide (PubChem CID 75411853) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is (4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide
PubChem CID75411853
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name(4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide
SMILESCc1csc(NC(=O)[C@@H]2CCC[C@@H](N(C)C)CN(C)C(=O)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-11-10-23-16(17-11)18-15(22)12-6-5-7-13(19(2)3)9-20(4)14(21)8-12/h10,12-13H,5-9H2,1-4H3,(H,17,18,22)/t12-,13-/m1/s1
InChIKeyUJQRZDQAIZMORD-CHWSQXEVSA-N
XLogP1.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide (CID 75411853) is (4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide is Cc1csc(NC(=O)[C@@H]2CCC[C@@H](N(C)C)CN(C)C(=O)C2)n1.
What is the InChIKey of (4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide?
The InChIKey is UJQRZDQAIZMORD-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11-10-23-16(17-11)18-15(22)12-6-5-7-13(19(2)3)9-20(4)14(21)8-12/h10,12-13H,5-9H2,1-4H3,(H,17,18,22)/t12-,13-/m1/s1.
What are the key properties of (4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide?
(4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-8-(dimethylamino)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).