(2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide

C17H26N2O3S — CID 95760588

IUPAC(2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide
SMILESCOc1ccccc1SC[C@@H](C)CNC(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C17H26N2O3S/c1-13(12-23-16-7-5-4-6-15(16)21-3)10-18-17(20)19-8-9-22-14(2)11-19/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyHORHKDUWDRJENS-KBPBESRZSA-N
MW338.47 g/mol
LogP2.85
Rot. Bonds6

About (2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide

(2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide (PubChem CID 95760588) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide
PubChem CID95760588
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide
SMILESCOc1ccccc1SC[C@@H](C)CNC(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C17H26N2O3S/c1-13(12-23-16-7-5-4-6-15(16)21-3)10-18-17(20)19-8-9-22-14(2)11-19/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyHORHKDUWDRJENS-KBPBESRZSA-N
XLogP2.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide
CID 119776294
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119776282
4-(furan-2-carbonyl)-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168066
4-[2-(2-methoxyphenoxy)propylcarbamoyl]morpholine-2-carboxylic acid
CID 139013682
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119776281
2-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-phenylacetamide
CID 119319309
1-amino-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]cyclopentane-1-carboxamide
CID 119319307
(2R)-N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylmorpholine-4-carboxamide
CID 95967596
(2S)-2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]morpholine-4-carboxamide
CID 95761707
2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide
CID 51293073
4-ethoxy-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide
CID 111960665
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776295

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide (CID 95760588) is (2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide is COc1ccccc1SC[C@@H](C)CNC(=O)N1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide?
The InChIKey is HORHKDUWDRJENS-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(12-23-16-7-5-4-6-15(16)21-3)10-18-17(20)19-8-9-22-14(2)11-19/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide?
(2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 95760588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).