[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol

C11H18N2O4S2 — CID 114776164

IUPAC[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(S(=O)(=O)c2cc(N)cs2)CC(CO)O1
InChIInChI=1S/C11H18N2O4S2/c1-11(2)7-13(4-9(5-14)17-11)19(15,16)10-3-8(12)6-18-10/h3,6,9,14H,4-5,7,12H2,1-2H3
InChIKeyUXKHITRLNFFZCQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.49
Rot. Bonds3

About [4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol

[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776164) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776164
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(S(=O)(=O)c2cc(N)cs2)CC(CO)O1
InChIInChI=1S/C11H18N2O4S2/c1-11(2)7-13(4-9(5-14)17-11)19(15,16)10-3-8(12)6-18-10/h3,6,9,14H,4-5,7,12H2,1-2H3
InChIKeyUXKHITRLNFFZCQ-UHFFFAOYSA-N
XLogP0.49
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
CID 114779103
[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
[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol
CID 114779120
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516
[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779082
[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
CID 114779174
6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine
CID 114781871
[4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 103302124
1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81096834
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide
CID 114081677

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol (CID 114776164) is [4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(S(=O)(=O)c2cc(N)cs2)CC(CO)O1.
What is the InChIKey of [4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is UXKHITRLNFFZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-11(2)7-13(4-9(5-14)17-11)19(15,16)10-3-8(12)6-18-10/h3,6,9,14H,4-5,7,12H2,1-2H3.
What are the key properties of [4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 306.41 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).