N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide

C11H22N2OS — CID 82917729

IUPACN-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
SMILESCCC(C)(C)N(C)C(=O)C1CSCCN1
InChIInChI=1S/C11H22N2OS/c1-5-11(2,3)13(4)10(14)9-8-15-7-6-12-9/h9,12H,5-8H2,1-4H3
InChIKeyDDFLHHLYNRQVNM-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.34
Rot. Bonds3

About N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide

N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide (PubChem CID 82917729) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
PubChem CID82917729
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
SMILESCCC(C)(C)N(C)C(=O)C1CSCCN1
InChIInChI=1S/C11H22N2OS/c1-5-11(2,3)13(4)10(14)9-8-15-7-6-12-9/h9,12H,5-8H2,1-4H3
InChIKeyDDFLHHLYNRQVNM-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82906208
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683
N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide
CID 82909487
N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
CID 82908136
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiomorpholine-3-carboxamide
CID 82905681
N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82908541
N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
CID 82916414
N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
CID 82905478
methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
CID 82909407
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 114949202
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 82908467

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide (CID 82917729) is N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide is CCC(C)(C)N(C)C(=O)C1CSCCN1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide?
The InChIKey is DDFLHHLYNRQVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-5-11(2,3)13(4)10(14)9-8-15-7-6-12-9/h9,12H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide?
N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82917729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).