N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide

C11H22N2OS — CID 66422271

IUPACN-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(C)CNC(=O)CC1CSCCN1
InChIInChI=1S/C11H22N2OS/c1-11(2,3)8-13-10(14)6-9-7-15-5-4-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyXOMUAOIXDFRSAO-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.24
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide

N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66422271) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66422271
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(C)CNC(=O)CC1CSCCN1
InChIInChI=1S/C11H22N2OS/c1-11(2,3)8-13-10(14)6-9-7-15-5-4-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyXOMUAOIXDFRSAO-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 114167326
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-thiomorpholin-3-ylacetamide
CID 114163723
2-ethyl-2-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]butanoic acid
CID 115430291
N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
CID 106176913
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide (CID 66422271) is N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide is CC(C)(C)CNC(=O)CC1CSCCN1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is XOMUAOIXDFRSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-11(2,3)8-13-10(14)6-9-7-15-5-4-12-9/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide?
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 230.38 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).