N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide

C8H17N3O2S2 — CID 135938395

IUPACN-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide
SMILESCCC1CS/C(=N\CCNS(C)(=O)=O)N1
InChIInChI=1S/C8H17N3O2S2/c1-3-7-6-14-8(11-7)9-4-5-10-15(2,12)13/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyZYKSKRBJALJWQD-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.01
Rot. Bonds5

About N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide

N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide (PubChem CID 135938395) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide
PubChem CID135938395
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC NameN-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide
SMILESCCC1CS/C(=N\CCNS(C)(=O)=O)N1
InChIInChI=1S/C8H17N3O2S2/c1-3-7-6-14-8(11-7)9-4-5-10-15(2,12)13/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyZYKSKRBJALJWQD-UHFFFAOYSA-N
XLogP0.01
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide (CID 135938395) is N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide is CCC1CS/C(=N\CCNS(C)(=O)=O)N1.
What is the InChIKey of N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide?
The InChIKey is ZYKSKRBJALJWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-3-7-6-14-8(11-7)9-4-5-10-15(2,12)13/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide?
N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide has a molecular weight of 251.38 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 135938395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).