(3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide

C15H22N2O3S — CID 97445345

IUPAC(3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide
SMILESCCCSc1ccccc1NC(=O)N1CCOC[C@@H]1CO
InChIInChI=1S/C15H22N2O3S/c1-2-9-21-14-6-4-3-5-13(14)16-15(19)17-7-8-20-11-12(17)10-18/h3-6,12,18H,2,7-11H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyMJZVNWSRGYNNNR-LBPRGKRZSA-N
MW310.42 g/mol
LogP2.41
Rot. Bonds5

About (3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide

(3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide (PubChem CID 97445345) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide
PubChem CID97445345
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide
SMILESCCCSc1ccccc1NC(=O)N1CCOC[C@@H]1CO
InChIInChI=1S/C15H22N2O3S/c1-2-9-21-14-6-4-3-5-13(14)16-15(19)17-7-8-20-11-12(17)10-18/h3-6,12,18H,2,7-11H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyMJZVNWSRGYNNNR-LBPRGKRZSA-N
XLogP2.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide
CID 71865558
(3R)-3-(hydroxymethyl)-N-isoquinolin-5-ylmorpholine-4-carboxamide
CID 97433996
3-acetamido-N-(2-propylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 72885788
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide
CID 97061516
(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide
CID 125169396
N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 74246994
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide
CID 111116843
(3S)-N-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(hydroxymethyl)morpholine-4-carboxamide
CID 97276126

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide?
The IUPAC name of (3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide (CID 97445345) is (3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide is CCCSc1ccccc1NC(=O)N1CCOC[C@@H]1CO.
What is the InChIKey of (3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide?
The InChIKey is MJZVNWSRGYNNNR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-9-21-14-6-4-3-5-13(14)16-15(19)17-7-8-20-11-12(17)10-18/h3-6,12,18H,2,7-11H2,1H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide?
(3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-N-(2-propylsulfanylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 97445345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).