N-(2-aminoethyl)-N-methylmethanesulfonamide

C4H12N2O2S — CID 28707509

IUPACN-(2-aminoethyl)-N-methylmethanesulfonamide
SMILESCN(CCN)S(C)(=O)=O
InChIInChI=1S/C4H12N2O2S/c1-6(4-3-5)9(2,7)8/h3-5H2,1-2H3
InChIKeyXHZATVSDPWJIKI-UHFFFAOYSA-N
MW152.22 g/mol
LogP-1.16
Rot. Bonds3

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

N-(2-aminoethyl)-N-methylmethanesulfonamide (PubChem CID 28707509) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methylmethanesulfonamide
PubChem CID28707509
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC NameN-(2-aminoethyl)-N-methylmethanesulfonamide
SMILESCN(CCN)S(C)(=O)=O
InChIInChI=1S/C4H12N2O2S/c1-6(4-3-5)9(2,7)8/h3-5H2,1-2H3
InChIKeyXHZATVSDPWJIKI-UHFFFAOYSA-N
XLogP-1.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Methylsulfonyl)piperazine
CID 709161
N,N'-(Ethane-1,2-diyl)dimethanesulfonamide
CID 311998
N-[2-(methylamino)ethyl]methanesulfonamide hydrochloride
CID 54593131
N-(2-aminoethyl)-N-methylmethanesulfonamide hydrochloride
CID 54759137
N-(2-Aminoethyl)methanesulfonamide
CID 533845
N-[2-(Methylamino)ethyl]methanesulfonamide
CID 541904
2-amino-N,N-dimethylethanesulfonamide
CID 19831215
N-(3-aminopropyl)-N-methylmethanesulfonamide
CID 23010539
1,1-difluoro-N-[2-(methylamino)ethyl]methanesulfonamide
CID 62658738
N-(2-aminoethyl)-N-(methylsulfonyl)methanesulfonamide
CID 87429618
N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 61349695
N-(2-aminoethyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 61351218

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-methylmethanesulfonamide (CID 28707509) is N-(2-aminoethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-methylmethanesulfonamide is CN(CCN)S(C)(=O)=O.
What is the InChIKey of N-(2-aminoethyl)-N-methylmethanesulfonamide?
The InChIKey is XHZATVSDPWJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-6(4-3-5)9(2,7)8/h3-5H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-methylmethanesulfonamide?
N-(2-aminoethyl)-N-methylmethanesulfonamide has a molecular weight of 152.22 g/mol, XLogP of -1.16, 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 is sourced from PubChem (CID 28707509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).