N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide

C11H22N2OS — CID 115695171

IUPACN-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide
SMILESCC(C)(C)NC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C11H22N2OS/c1-10(2,3)12-9(14)13-6-7-15-11(4,5)8-13/h6-8H2,1-5H3,(H,12,14)
InChIKeyLHMMUXOEXIVLSY-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.32
Rot. Bonds

About N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide

N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide (PubChem CID 115695171) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide
PubChem CID115695171
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide
SMILESCC(C)(C)NC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C11H22N2OS/c1-10(2,3)12-9(14)13-6-7-15-11(4,5)8-13/h6-8H2,1-5H3,(H,12,14)
InChIKeyLHMMUXOEXIVLSY-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,2-dimethylthiomorpholine-4-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474715
N-tert-butyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872033
2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide
CID 75377524
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130736766
1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride
CID 119791850
3-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-2-methoxypropanoic acid
CID 114144770
(2S)-4-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007751
1-(tert-butylcarbamoyl)-3-methylazetidine-3-carboxylic acid
CID 130987300
2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
CID 119791877
2-bromo-1-(2,2-dimethylthiomorpholin-4-yl)propan-1-one
CID 107905824
4-(2,2-dimethylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 115910476
2,2-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiomorpholine-4-carboxamide
CID 71974909

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide (CID 115695171) is N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide is CC(C)(C)NC(=O)N1CCSC(C)(C)C1.
What is the InChIKey of N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide?
The InChIKey is LHMMUXOEXIVLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-10(2,3)12-9(14)13-6-7-15-11(4,5)8-13/h6-8H2,1-5H3,(H,12,14).
What are the key properties of N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide?
N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 115695171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).