N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide

C5H11N5O2S2 — CID 66277896

IUPACN-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc(N)ns1
InChIInChI=1S/C5H11N5O2S2/c1-14(11,12)8-3-2-7-5-9-4(6)10-13-5/h8H,2-3H2,1H3,(H3,6,7,9,10)
InChIKeyLBBBRLVEHPMWNB-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.92
Rot. Bonds5

About N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide

N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide (PubChem CID 66277896) has the molecular formula C5H11N5O2S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
PubChem CID66277896
Molecular FormulaC5H11N5O2S2
Molecular Weight237.31 g/mol
Exact Mass237.04
IUPAC NameN-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nc(N)ns1
InChIInChI=1S/C5H11N5O2S2/c1-14(11,12)8-3-2-7-5-9-4(6)10-13-5/h8H,2-3H2,1H3,(H3,6,7,9,10)
InChIKeyLBBBRLVEHPMWNB-UHFFFAOYSA-N
XLogP-0.92
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]methanesulfonamide
CID 113943923
1-(3-Methanesulfonyl-[1,2,4]-thiadiazol-5-yl)piperazine
CID 68532082
N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
CID 65268208
N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide
CID 65271450
N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide
CID 65271504
2-(1,2,4-Thiadiazol-5-ylamino)ethanesulfonamide
CID 65271506
N-[2-methyl-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]methanesulfonamide
CID 65274159
2-[(3-Amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
CID 66277897
N-[1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 66278570
5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279429
5-N-[2-(dimethylamino)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279862
3-[(3-Amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
CID 66280540

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide (CID 66277896) is N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1nc(N)ns1.
What is the InChIKey of N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
The InChIKey is LBBBRLVEHPMWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2S2/c1-14(11,12)8-3-2-7-5-9-4(6)10-13-5/h8H,2-3H2,1H3,(H3,6,7,9,10).
What are the key properties of N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide?
N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide has a molecular weight of 237.31 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 66277896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).