[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol

C10H14ClNO4S2 — CID 81219101

IUPAC[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S2/c1-7-6-16-8(5-13)4-12(7)18(14,15)10-3-2-9(11)17-10/h2-3,7-8,13H,4-6H2,1H3
InChIKeyTVEFLXZCGYLBKA-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.17
Rot. Bonds3

About [4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol

[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol (PubChem CID 81219101) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol
PubChem CID81219101
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Name[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S2/c1-7-6-16-8(5-13)4-12(7)18(14,15)10-3-2-9(11)17-10/h2-3,7-8,13H,4-6H2,1H3
InChIKeyTVEFLXZCGYLBKA-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81218776
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219427
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
4-chloro-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 81194735
[5-methyl-4-(1-methylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
CID 81219581
[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219098
[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195724
1-(5-chlorothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81204637
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
methyl 4-chloro-3-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylbenzoate
CID 97094800
[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81205329

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol (CID 81219101) is [4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The InChIKey is TVEFLXZCGYLBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-7-6-16-8(5-13)4-12(7)18(14,15)10-3-2-9(11)17-10/h2-3,7-8,13H,4-6H2,1H3.
What are the key properties of [4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol?
[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol has a molecular weight of 311.81 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81219101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).