[4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol

C10H19NO6S2 — CID 102934912

IUPAC[4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)C2CCS(=O)(=O)C2)CC(CO)O1
InChIInChI=1S/C10H19NO6S2/c1-8-4-11(5-9(6-12)17-8)19(15,16)10-2-3-18(13,14)7-10/h8-10,12H,2-7H2,1H3
InChIKeyRUOCGOXPFQSQIF-UHFFFAOYSA-N
MW313.40 g/mol
LogP-1.42
Rot. Bonds3

About [4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102934912) has the molecular formula C10H19NO6S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102934912
Molecular FormulaC10H19NO6S2
Molecular Weight313.40 g/mol
Exact Mass313.07
IUPAC Name[4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)C2CCS(=O)(=O)C2)CC(CO)O1
InChIInChI=1S/C10H19NO6S2/c1-8-4-11(5-9(6-12)17-8)19(15,16)10-2-3-18(13,14)7-10/h8-10,12H,2-7H2,1H3
InChIKeyRUOCGOXPFQSQIF-UHFFFAOYSA-N
XLogP-1.42
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102934912) is [4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol is CC1CN(S(=O)(=O)C2CCS(=O)(=O)C2)CC(CO)O1.
What is the InChIKey of [4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is RUOCGOXPFQSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S2/c1-8-4-11(5-9(6-12)17-8)19(15,16)10-2-3-18(13,14)7-10/h8-10,12H,2-7H2,1H3.
What are the key properties of [4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol has a molecular weight of 313.40 g/mol, XLogP of -1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxothiolan-3-yl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102934912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).