2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide

C15H28N2O2S — CID 96968948

IUPAC2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide
SMILESC[C@H](CC[C@@H]1CCCO1)NC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C15H28N2O2S/c1-12(6-7-13-5-4-9-19-13)16-14(18)17-8-10-20-15(2,3)11-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+/m1/s1
InChIKeyDYKVXIVPUHQEJM-OLZOCXBDSA-N
MW300.47 g/mol
LogP2.87
Rot. Bonds4

About 2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide

2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide (PubChem CID 96968948) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide
PubChem CID96968948
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide
SMILESC[C@H](CC[C@@H]1CCCO1)NC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C15H28N2O2S/c1-12(6-7-13-5-4-9-19-13)16-14(18)17-8-10-20-15(2,3)11-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+/m1/s1
InChIKeyDYKVXIVPUHQEJM-OLZOCXBDSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide (CID 96968948) is 2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide is C[C@H](CC[C@@H]1CCCO1)NC(=O)N1CCSC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide?
The InChIKey is DYKVXIVPUHQEJM-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-12(6-7-13-5-4-9-19-13)16-14(18)17-8-10-20-15(2,3)11-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide?
2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide has a molecular weight of 300.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 96968948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).