3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol

C10H21NO4S — CID 106100386

IUPAC3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
SMILESCC(C)S(=O)(=O)CCNCC1(O)CCOC1
InChIInChI=1S/C10H21NO4S/c1-9(2)16(13,14)6-4-11-7-10(12)3-5-15-8-10/h9,11-12H,3-8H2,1-2H3
InChIKeyQLIXNWGRUKITNS-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.45
Rot. Bonds6

About 3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol

3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol (PubChem CID 106100386) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
PubChem CID106100386
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
SMILESCC(C)S(=O)(=O)CCNCC1(O)CCOC1
InChIInChI=1S/C10H21NO4S/c1-9(2)16(13,14)6-4-11-7-10(12)3-5-15-8-10/h9,11-12H,3-8H2,1-2H3
InChIKeyQLIXNWGRUKITNS-UHFFFAOYSA-N
XLogP-0.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyloxetan-3-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106724002
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
3-[(but-3-ynylamino)methyl]oxolan-3-ol
CID 106100602
3-[(2-methoxypropylamino)methyl]oxolan-3-ol
CID 106100785
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol
CID 106100787
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol
CID 106102940
3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
CID 103529150
3-[[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 106100744
N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103848147
2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760821

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol (CID 106100386) is 3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol is CC(C)S(=O)(=O)CCNCC1(O)CCOC1.
What is the InChIKey of 3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol?
The InChIKey is QLIXNWGRUKITNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-9(2)16(13,14)6-4-11-7-10(12)3-5-15-8-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol?
3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol has a molecular weight of 251.35 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).