2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol

C11H27N2O6S-3 — CID 54319399

IUPAC2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol
SMILESCC(=O)NCC(C)(C)CS([O-])([O-])[O-].CCO.NCCO
InChIInChI=1S/C7H17NO4S.C2H7NO.C2H6O/c1-6(9)8-4-7(2,3)5-13(10,11)12;3-1-2-4;1-2-3/h10-12H,4-5H2,1-3H3,(H,8,9);4H,1-3H2;3H,2H2,1H3/p-3
InChIKeySQOIPQWVXVCQPR-UHFFFAOYSA-K
MW315.41 g/mol
LogP-0.72
Rot. Bonds5

About 2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol

2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol (PubChem CID 54319399) has the molecular formula C11H27N2O6S-3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol.

Molecular Properties

Compound Name2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol
PubChem CID54319399
Molecular FormulaC11H27N2O6S-3
Molecular Weight315.41 g/mol
Exact Mass315.16
IUPAC Name2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol
SMILESCC(=O)NCC(C)(C)CS([O-])([O-])[O-].CCO.NCCO
InChIInChI=1S/C7H17NO4S.C2H7NO.C2H6O/c1-6(9)8-4-7(2,3)5-13(10,11)12;3-1-2-4;1-2-3/h10-12H,4-5H2,1-3H3,(H,8,9);4H,1-3H2;3H,2H2,1H3/p-3
InChIKeySQOIPQWVXVCQPR-UHFFFAOYSA-K
XLogP-0.72
TPSA164.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol?
The IUPAC name of 2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol (CID 54319399) is 2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol.
What is the SMILES notation for 2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol?
The canonical SMILES for 2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol is CC(=O)NCC(C)(C)CS([O-])([O-])[O-].CCO.NCCO.
What is the InChIKey of 2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol?
The InChIKey is SQOIPQWVXVCQPR-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H17NO4S.C2H7NO.C2H6O/c1-6(9)8-4-7(2,3)5-13(10,11)12;3-1-2-4;1-2-3/h10-12H,4-5H2,1-3H3,(H,8,9);4H,1-3H2;3H,2H2,1H3/p-3.
What are the key properties of 2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol?
2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol has a molecular weight of 315.41 g/mol, XLogP of -0.72, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;N-[2,2-dimethyl-3-(trioxido-λ4-sulfanyl)propyl]acetamide;ethanol is sourced from PubChem (CID 54319399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).