N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride

C4H13ClN2O2S — CID 54759137

IUPACN-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCN(CCN)S(C)(=O)=O.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-6(4-3-5)9(2,7)8;/h3-5H2,1-2H3;1H
InChIKeyXFDMJZRNRCNOOL-UHFFFAOYSA-N
MW188.68 g/mol
LogP-0.74
Rot. Bonds3

About N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride

N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride (PubChem CID 54759137) has the molecular formula C4H13ClN2O2S and a molecular weight of 188.68 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride
PubChem CID54759137
Molecular FormulaC4H13ClN2O2S
Molecular Weight188.68 g/mol
Exact Mass188.04
IUPAC NameN-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCN(CCN)S(C)(=O)=O.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-6(4-3-5)9(2,7)8;/h3-5H2,1-2H3;1H
InChIKeyXFDMJZRNRCNOOL-UHFFFAOYSA-N
XLogP-0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpiperazine hydrochloride
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N-(2-aminoethyl)methanesulfonamide hydrochloride
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CID 23448789
N-[2-(methylamino)ethyl]methanesulfonamide hydrochloride
CID 54593131
N-(3-aminopropyl)-N-methylmethanesulfonamide hydrochloride
CID 122163908
4-(Methylsulfonyl)piperazin-1-ium chloride
CID 68731830
N-[2-(Methylamino)ethyl]methanesulfonamide
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N-(2-aminoethyl)-N-methylmethanesulfonamide
CID 28707509
N-(2-aminoethyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 61351218
N-[2-(2-fluoroethylamino)ethyl]methanesulfonamide
CID 80693722
N-[2-(dimethylamino)ethyl]methanesulfonamide;hydrochloride
CID 24194767
N-(2-dimethylaminoethyl)methanesulfonamide
CID 425315

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride (CID 54759137) is N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride is CN(CCN)S(C)(=O)=O.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is XFDMJZRNRCNOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S.ClH/c1-6(4-3-5)9(2,7)8;/h3-5H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride?
N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 54759137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).