N-(1,2-diaminoethyl)methanesulfonamide

C3H11N3O2S — CID 19858311

IUPACN-(1,2-diaminoethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(N)CN
InChIInChI=1S/C3H11N3O2S/c1-9(7,8)6-3(5)2-4/h3,6H,2,4-5H2,1H3
InChIKeyGLPRCZCXAPDFPP-UHFFFAOYSA-N
MW153.21 g/mol
LogP-2.22
Rot. Bonds3

About N-(1,2-diaminoethyl)methanesulfonamide

N-(1,2-diaminoethyl)methanesulfonamide (PubChem CID 19858311) has the molecular formula C3H11N3O2S and a molecular weight of 153.21 g/mol. Its IUPAC name is N-(1,2-diaminoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,2-diaminoethyl)methanesulfonamide
PubChem CID19858311
Molecular FormulaC3H11N3O2S
Molecular Weight153.21 g/mol
Exact Mass153.06
IUPAC NameN-(1,2-diaminoethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(N)CN
InChIInChI=1S/C3H11N3O2S/c1-9(7,8)6-3(5)2-4/h3,6H,2,4-5H2,1H3
InChIKeyGLPRCZCXAPDFPP-UHFFFAOYSA-N
XLogP-2.22
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,2-diaminoethyl)methanesulfonamide 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

N-Ethylmethanesulfonamide
CID 5136276
N,N'-(Ethane-1,2-diyl)dimethanesulfonamide
CID 311998
N-(2-aminoethyl)methanesulfonamide hydrochloride
CID 22609809
Ethanaminium mesylate
CID 56927986
N-(2-Aminoethyl)methanesulfonamide
CID 533845
N-methylsulfonylsulfanylethanamine
CID 87551065
N-(2-aminoethyl)-N-(methylsulfonyl)methanesulfonamide
CID 87429618
Ethane-1,2-diamine;methanesulfonic acid
CID 19004885
N-ethylmethanesulfonamide;tris(yttrium)
CID 20621256
N-(2-isocyanoethyl)methanesulfonamide
CID 21305064
2-(Methanesulfonamido)ethylazanium
CID 40718548
CID 58399089
CID 58399089

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diaminoethyl)methanesulfonamide?
The IUPAC name of N-(1,2-diaminoethyl)methanesulfonamide (CID 19858311) is N-(1,2-diaminoethyl)methanesulfonamide.
What is the SMILES notation for N-(1,2-diaminoethyl)methanesulfonamide?
The canonical SMILES for N-(1,2-diaminoethyl)methanesulfonamide is CS(=O)(=O)NC(N)CN.
What is the InChIKey of N-(1,2-diaminoethyl)methanesulfonamide?
The InChIKey is GLPRCZCXAPDFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O2S/c1-9(7,8)6-3(5)2-4/h3,6H,2,4-5H2,1H3.
What are the key properties of N-(1,2-diaminoethyl)methanesulfonamide?
N-(1,2-diaminoethyl)methanesulfonamide has a molecular weight of 153.21 g/mol, XLogP of -2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diaminoethyl)methanesulfonamide is sourced from PubChem (CID 19858311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).