(4-propan-2-ylsulfonylmorpholin-2-yl)methanol

C8H17NO4S — CID 81219014

IUPAC(4-propan-2-ylsulfonylmorpholin-2-yl)methanol
SMILESCC(C)S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C8H17NO4S/c1-7(2)14(11,12)9-3-4-13-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyMNJZMYFRQLXPBJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.58
Rot. Bonds3

About (4-propan-2-ylsulfonylmorpholin-2-yl)methanol

(4-propan-2-ylsulfonylmorpholin-2-yl)methanol (PubChem CID 81219014) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is (4-propan-2-ylsulfonylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-ylsulfonylmorpholin-2-yl)methanol
PubChem CID81219014
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name(4-propan-2-ylsulfonylmorpholin-2-yl)methanol
SMILESCC(C)S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C8H17NO4S/c1-7(2)14(11,12)9-3-4-13-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyMNJZMYFRQLXPBJ-UHFFFAOYSA-N
XLogP-0.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylsulfonylmorpholin-2-yl)methanol?
The IUPAC name of (4-propan-2-ylsulfonylmorpholin-2-yl)methanol (CID 81219014) is (4-propan-2-ylsulfonylmorpholin-2-yl)methanol.
What is the SMILES notation for (4-propan-2-ylsulfonylmorpholin-2-yl)methanol?
The canonical SMILES for (4-propan-2-ylsulfonylmorpholin-2-yl)methanol is CC(C)S(=O)(=O)N1CCOC(CO)C1.
What is the InChIKey of (4-propan-2-ylsulfonylmorpholin-2-yl)methanol?
The InChIKey is MNJZMYFRQLXPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7(2)14(11,12)9-3-4-13-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of (4-propan-2-ylsulfonylmorpholin-2-yl)methanol?
(4-propan-2-ylsulfonylmorpholin-2-yl)methanol has a molecular weight of 223.29 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylsulfonylmorpholin-2-yl)methanol is sourced from PubChem (CID 81219014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).