N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide

C8H18N2O3S — CID 79578945

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
SMILESCN(CCNS(=O)(=O)CCO)C1CC1
InChIInChI=1S/C8H18N2O3S/c1-10(8-2-3-8)5-4-9-14(12,13)7-6-11/h8-9,11H,2-7H2,1H3
InChIKeyYWRLRNBURRSHBE-UHFFFAOYSA-N
MW222.31 g/mol
LogP-1.01
Rot. Bonds7

About N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide (PubChem CID 79578945) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
PubChem CID79578945
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
SMILESCN(CCNS(=O)(=O)CCO)C1CC1
InChIInChI=1S/C8H18N2O3S/c1-10(8-2-3-8)5-4-9-14(12,13)7-6-11/h8-9,11H,2-7H2,1H3
InChIKeyYWRLRNBURRSHBE-UHFFFAOYSA-N
XLogP-1.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
CID 106062793
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55142009
N-[2-[cyclopentyl(methyl)amino]ethyl]ethanesulfonamide
CID 63373682
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
CID 79579543
1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide
CID 62975336
2-[cyclopropyl(methyl)amino]ethanol;hydrochloride
CID 69009010
3-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpropane-1-sulfonamide
CID 79585976
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide
CID 110440573
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62976287

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide (CID 79578945) is N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide is CN(CCNS(=O)(=O)CCO)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide?
The InChIKey is YWRLRNBURRSHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-10(8-2-3-8)5-4-9-14(12,13)7-6-11/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79578945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).