N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride

C13H23ClN2O3S — CID 120664287

IUPACN-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
SMILESCOCCS(=O)(=O)N(CCCN)Cc1ccccc1.Cl
InChIInChI=1S/C13H22N2O3S.ClH/c1-18-10-11-19(16,17)15(9-5-8-14)12-13-6-3-2-4-7-13;/h2-4,6-7H,5,8-12,14H2,1H3;1H
InChIKeyMNWIITKFQTXVOT-UHFFFAOYSA-N
MW322.86 g/mol
LogP1.24
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride (PubChem CID 120664287) has the molecular formula C13H23ClN2O3S and a molecular weight of 322.86 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
PubChem CID120664287
Molecular FormulaC13H23ClN2O3S
Molecular Weight322.86 g/mol
Exact Mass322.11
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
SMILESCOCCS(=O)(=O)N(CCCN)Cc1ccccc1.Cl
InChIInChI=1S/C13H22N2O3S.ClH/c1-18-10-11-19(16,17)15(9-5-8-14)12-13-6-3-2-4-7-13;/h2-4,6-7H,5,8-12,14H2,1H3;1H
InChIKeyMNWIITKFQTXVOT-UHFFFAOYSA-N
XLogP1.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-aminopropyl(benzyl)sulfamoyl]propanoate
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N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
CID 120584154
N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide
CID 110410492
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide
CID 55009877
N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide
CID 107366466
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
ethyl N-[3-aminopropyl(benzyl)sulfamoyl]carbamate
CID 107366642
N-benzyl-2-methoxy-N-phenylethanesulfonamide
CID 110300125
N-(2-aminoethyl)-N-benzyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83048413

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride (CID 120664287) is N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride is COCCS(=O)(=O)N(CCCN)Cc1ccccc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride?
The InChIKey is MNWIITKFQTXVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S.ClH/c1-18-10-11-19(16,17)15(9-5-8-14)12-13-6-3-2-4-7-13;/h2-4,6-7H,5,8-12,14H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride is sourced from PubChem (CID 120664287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).