[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol

C12H19NO4S2 — CID 114779103

IUPAC[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CC(CO)OC(C)(C)C2)s1
InChIInChI=1S/C12H19NO4S2/c1-9-4-5-11(18-9)19(15,16)13-6-10(7-14)17-12(2,3)8-13/h4-5,10,14H,6-8H2,1-3H3
InChIKeyUAKLYPLOYXJQKP-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.22
Rot. Bonds3

About [6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol

[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol (PubChem CID 114779103) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
PubChem CID114779103
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CC(CO)OC(C)(C)C2)s1
InChIInChI=1S/C12H19NO4S2/c1-9-4-5-11(18-9)19(15,16)13-6-10(7-14)17-12(2,3)8-13/h4-5,10,14H,6-8H2,1-3H3
InChIKeyUAKLYPLOYXJQKP-UHFFFAOYSA-N
XLogP1.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114776164
6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine
CID 114781871
[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779094
[4-(5-chloro-2-methylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779155
2-[8-(5-methylthiophen-2-yl)sulfonyl-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid
CID 166288005
[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol
CID 114779120
[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779082
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 114777465
[4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 103302124
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
CID 114779174

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol (CID 114779103) is [6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2CC(CO)OC(C)(C)C2)s1.
What is the InChIKey of [6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is UAKLYPLOYXJQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-9-4-5-11(18-9)19(15,16)13-6-10(7-14)17-12(2,3)8-13/h4-5,10,14H,6-8H2,1-3H3.
What are the key properties of [6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol?
[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 305.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).