4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide

C14H22N2O4S — CID 107270686

IUPAC4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
SMILESCC(NCC1(O)CCOC1C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-10(16-9-14(17)7-8-20-11(14)2)12-3-5-13(6-4-12)21(15,18)19/h3-6,10-11,16-17H,7-9H2,1-2H3,(H2,15,18,19)
InChIKeyUTQPCNXGYKKYQS-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.52
Rot. Bonds5

About 4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide

4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide (PubChem CID 107270686) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
PubChem CID107270686
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
SMILESCC(NCC1(O)CCOC1C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-10(16-9-14(17)7-8-20-11(14)2)12-3-5-13(6-4-12)21(15,18)19/h3-6,10-11,16-17H,7-9H2,1-2H3,(H2,15,18,19)
InChIKeyUTQPCNXGYKKYQS-UHFFFAOYSA-N
XLogP0.52
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270576
3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270703
4-[(1S)-1-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]ethyl]benzenesulfonamide
CID 97336517
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271459
3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270611
2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol
CID 107270852
4-amino-3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099374
3-[[1-[3-(difluoromethoxy)phenyl]ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270673
5-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]furan-2-sulfonamide
CID 106100249
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 107270667

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide (CID 107270686) is 4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide is CC(NCC1(O)CCOC1C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is UTQPCNXGYKKYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(16-9-14(17)7-8-20-11(14)2)12-3-5-13(6-4-12)21(15,18)19/h3-6,10-11,16-17H,7-9H2,1-2H3,(H2,15,18,19).
What are the key properties of 4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide?
4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 107270686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).