4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine

C15H23NO4S — CID 935135

IUPAC4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine
SMILESCC[C@H](C)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC
InChIInChI=1S/C15H23NO4S/c1-4-12(2)14-11-13(5-6-15(14)19-3)21(17,18)16-7-9-20-10-8-16/h5-6,11-12H,4,7-10H2,1-3H3/t12-/m0/s1
InChIKeyIDWYDYJYVFMLOU-LBPRGKRZSA-N
MW313.42 g/mol
LogP2.23
Rot. Bonds5

About 4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine

4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine (PubChem CID 935135) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine
PubChem CID935135
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine
SMILESCC[C@H](C)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC
InChIInChI=1S/C15H23NO4S/c1-4-12(2)14-11-13(5-6-15(14)19-3)21(17,18)16-7-9-20-10-8-16/h5-6,11-12H,4,7-10H2,1-3H3/t12-/m0/s1
InChIKeyIDWYDYJYVFMLOU-LBPRGKRZSA-N
XLogP2.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
ethyl 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 6472834
1-[4-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817356
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758210
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
CID 3868598

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine (CID 935135) is 4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine is CC[C@H](C)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC.
What is the InChIKey of 4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine?
The InChIKey is IDWYDYJYVFMLOU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-12(2)14-11-13(5-6-15(14)19-3)21(17,18)16-7-9-20-10-8-16/h5-6,11-12H,4,7-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine?
4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine has a molecular weight of 313.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine is sourced from PubChem (CID 935135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).