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

C11H22N4O2S2 — CID 65271301

IUPACN-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
SMILESCCCc1nsc(NCCCN(CC)S(C)(=O)=O)n1
InChIInChI=1S/C11H22N4O2S2/c1-4-7-10-13-11(18-14-10)12-8-6-9-15(5-2)19(3,16)17/h4-9H2,1-3H3,(H,12,13,14)
InChIKeyBJNVQLZTZFHNGJ-UHFFFAOYSA-N
MW306.46 g/mol
LogP1.57
Rot. Bonds9

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

N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide (PubChem CID 65271301) has the molecular formula C11H22N4O2S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
PubChem CID65271301
Molecular FormulaC11H22N4O2S2
Molecular Weight306.46 g/mol
Exact Mass306.12
IUPAC NameN-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide
SMILESCCCc1nsc(NCCCN(CC)S(C)(=O)=O)n1
InChIInChI=1S/C11H22N4O2S2/c1-4-7-10-13-11(18-14-10)12-8-6-9-15(5-2)19(3,16)17/h4-9H2,1-3H3,(H,12,13,14)
InChIKeyBJNVQLZTZFHNGJ-UHFFFAOYSA-N
XLogP1.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide (CID 65271301) is N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide is CCCc1nsc(NCCCN(CC)S(C)(=O)=O)n1.
What is the InChIKey of N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
The InChIKey is BJNVQLZTZFHNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S2/c1-4-7-10-13-11(18-14-10)12-8-6-9-15(5-2)19(3,16)17/h4-9H2,1-3H3,(H,12,13,14).
What are the key properties of N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide has a molecular weight of 306.46 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 65271301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).