3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide

C16H24N2O3S — CID 71865558

IUPAC3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide
SMILESCC(C)CC1COCCN1C(=O)Nc1ccccc1S(C)=O
InChIInChI=1S/C16H24N2O3S/c1-12(2)10-13-11-21-9-8-18(13)16(19)17-14-6-4-5-7-15(14)22(3)20/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)
InChIKeyANVXKXVTTZBZES-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.70
Rot. Bonds4

About 3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide

3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide (PubChem CID 71865558) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide
PubChem CID71865558
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide
SMILESCC(C)CC1COCCN1C(=O)Nc1ccccc1S(C)=O
InChIInChI=1S/C16H24N2O3S/c1-12(2)10-13-11-21-9-8-18(13)16(19)17-14-6-4-5-7-15(14)22(3)20/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)
InChIKeyANVXKXVTTZBZES-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 138042149
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 96546401
(3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide
CID 97445345
(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
CID 95904886
(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide
CID 97061516
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794691
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
N-[2-(1H-indol-2-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 127617774
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 86949500
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide (CID 71865558) is 3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide is CC(C)CC1COCCN1C(=O)Nc1ccccc1S(C)=O.
What is the InChIKey of 3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide?
The InChIKey is ANVXKXVTTZBZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(2)10-13-11-21-9-8-18(13)16(19)17-14-6-4-5-7-15(14)22(3)20/h4-7,12-13H,8-11H2,1-3H3,(H,17,19).
What are the key properties of 3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide?
3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 71865558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).