N-(aminomethyl)ethanesulfonamide

C3H10N2O2S — CID 123304076

IUPACN-(aminomethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCN
InChIInChI=1S/C3H10N2O2S/c1-2-8(6,7)5-3-4/h5H,2-4H2,1H3
InChIKeyVQOGTLFHJYXANV-UHFFFAOYSA-N
MW138.19 g/mol
LogP-1.16
Rot. Bonds3

About N-(aminomethyl)ethanesulfonamide

N-(aminomethyl)ethanesulfonamide (PubChem CID 123304076) has the molecular formula C3H10N2O2S and a molecular weight of 138.19 g/mol. Its IUPAC name is N-(aminomethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(aminomethyl)ethanesulfonamide
PubChem CID123304076
Molecular FormulaC3H10N2O2S
Molecular Weight138.19 g/mol
Exact Mass138.05
IUPAC NameN-(aminomethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCN
InChIInChI=1S/C3H10N2O2S/c1-2-8(6,7)5-3-4/h5H,2-4H2,1H3
InChIKeyVQOGTLFHJYXANV-UHFFFAOYSA-N
XLogP-1.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methylbutane-1-sulfonamide
CID 13343581
N-methylethane-1-sulfonamide
CID 11105495
N-Methylpropane-1-sulfonamide
CID 14399856
N-methylpropane-2-sulfonamide
CID 20487245
2-amino-N-methylethanesulfonamide
CID 16765290
2-fluoro-N-methylethanesulfonamide
CID 89208322
N-(fluoromethyl)ethanesulfonamide
CID 175323471
N-(aminomethyl)butane-1-sulfonamide
CID 20715247
N-methylbutane-2-sulfonamide
CID 21703064
N-(Ethanesulfonyl)guanidine
CID 46256414
(Ethylsulfonylamino)methyl thiohypochlorite
CID 57309858
N,N'-dimethylethane-1,2-disulfonamide
CID 58907728

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)ethanesulfonamide?
The IUPAC name of N-(aminomethyl)ethanesulfonamide (CID 123304076) is N-(aminomethyl)ethanesulfonamide.
What is the SMILES notation for N-(aminomethyl)ethanesulfonamide?
The canonical SMILES for N-(aminomethyl)ethanesulfonamide is CCS(=O)(=O)NCN.
What is the InChIKey of N-(aminomethyl)ethanesulfonamide?
The InChIKey is VQOGTLFHJYXANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2S/c1-2-8(6,7)5-3-4/h5H,2-4H2,1H3.
What are the key properties of N-(aminomethyl)ethanesulfonamide?
N-(aminomethyl)ethanesulfonamide has a molecular weight of 138.19 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)ethanesulfonamide is sourced from PubChem (CID 123304076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).