(2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide

C15H22N2O2S — CID 97236505

IUPAC(2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide
SMILESC[C@H](CCSc1ccccc1)N1CCO[C@H](C(N)=O)C1
InChIInChI=1S/C15H22N2O2S/c1-12(7-10-20-13-5-3-2-4-6-13)17-8-9-19-14(11-17)15(16)18/h2-6,12,14H,7-11H2,1H3,(H2,16,18)/t12-,14+/m1/s1
InChIKeyNVDOKMLTOGMXNN-OCCSQVGLSA-N
MW294.42 g/mol
LogP1.74
Rot. Bonds6

About (2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide

(2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide (PubChem CID 97236505) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide
PubChem CID97236505
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide
SMILESC[C@H](CCSc1ccccc1)N1CCO[C@H](C(N)=O)C1
InChIInChI=1S/C15H22N2O2S/c1-12(7-10-20-13-5-3-2-4-6-13)17-8-9-19-14(11-17)15(16)18/h2-6,12,14H,7-11H2,1H3,(H2,16,18)/t12-,14+/m1/s1
InChIKeyNVDOKMLTOGMXNN-OCCSQVGLSA-N
XLogP1.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol
CID 97237730
N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide
CID 71850304
2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide
CID 96542414
4-(1,2-dihydroxyethyl)morpholine-2-carboxamide
CID 174387673
phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
4-(1-phenylpropyl)morpholine-2-carboxylic acid
CID 65067366
4-(1-phenylbutyl)morpholine-2-carboxylic acid
CID 65067118
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
1-[(2S)-4-phenylsulfanylbutan-2-yl]-1,4-diazepan-5-one
CID 97236506
1-[(2R)-4-phenylsulfanylbutan-2-yl]-1,4-diazepan-5-one
CID 97236507
4-pentan-2-ylmorpholine-2-carbothioamide
CID 107895727
4-(2-methoxy-2-phenylacetyl)morpholine-2-carboxamide
CID 49417402

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide (CID 97236505) is (2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide is C[C@H](CCSc1ccccc1)N1CCO[C@H](C(N)=O)C1.
What is the InChIKey of (2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide?
The InChIKey is NVDOKMLTOGMXNN-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12(7-10-20-13-5-3-2-4-6-13)17-8-9-19-14(11-17)15(16)18/h2-6,12,14H,7-11H2,1H3,(H2,16,18)/t12-,14+/m1/s1.
What are the key properties of (2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide?
(2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 97236505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).