N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide

C14H22N2O4S — CID 167986682

IUPACN-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide
SMILESCOC1COCC1S(=O)(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C14H22N2O4S/c1-19-13-10-20-11-14(13)21(17,18)16(8-7-15)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11,15H2,1H3
InChIKeyBYVPKMSMZJHFAS-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.19
Rot. Bonds7

About N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide

N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide (PubChem CID 167986682) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide
PubChem CID167986682
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide
SMILESCOC1COCC1S(=O)(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C14H22N2O4S/c1-19-13-10-20-11-14(13)21(17,18)16(8-7-15)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11,15H2,1H3
InChIKeyBYVPKMSMZJHFAS-UHFFFAOYSA-N
XLogP0.19
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 106511503
N-(3-aminopropyl)-N-benzylcyclopentanesulfonamide
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N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61013839
[2-aminoethyl(propylsulfamoyl)amino]methylbenzene
CID 114803646
N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
CID 61013841
N-(2-aminoethyl)-N-benzyl-1-cyclohexylmethanesulfonamide;hydrochloride
CID 120584146
N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
CID 120584154
N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 120584192
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
4-[2-aminoethyl(benzyl)amino]oxolan-3-ol
CID 130503382
N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120584167

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide (CID 167986682) is N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide is COC1COCC1S(=O)(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide?
The InChIKey is BYVPKMSMZJHFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-19-13-10-20-11-14(13)21(17,18)16(8-7-15)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11,15H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide?
N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-4-methoxyoxolane-3-sulfonamide is sourced from PubChem (CID 167986682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).