N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine

C12H23N3O2S2 — CID 105152683

IUPACN-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1snnc1CC
InChIInChI=1S/C12H23N3O2S2/c1-4-10-12(18-15-14-10)11(13-5-2)8-7-9-19(16,17)6-3/h11,13H,4-9H2,1-3H3
InChIKeyPTSZEADHNRNXFW-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.97
Rot. Bonds9

About N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine

N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine (PubChem CID 105152683) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine
PubChem CID105152683
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC NameN-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1snnc1CC
InChIInChI=1S/C12H23N3O2S2/c1-4-10-12(18-15-14-10)11(13-5-2)8-7-9-19(16,17)6-3/h11,13H,4-9H2,1-3H3
InChIKeyPTSZEADHNRNXFW-UHFFFAOYSA-N
XLogP1.97
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-yn-1-amine
CID 105179701
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-en-1-amine
CID 105153232
N-ethyl-1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 105156470
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
[1-(4-ethylthiadiazol-5-yl)-5-methylhexyl]hydrazine
CID 105331378
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300
1-(4-ethylthiadiazol-5-yl)octylhydrazine
CID 105293632
1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152557
[1-(4-ethylthiadiazol-5-yl)-4-methoxybutyl]hydrazine
CID 105342583
N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 65095551
N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115865157

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine (CID 105152683) is N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine is CCNC(CCCS(=O)(=O)CC)c1snnc1CC.
What is the InChIKey of N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine?
The InChIKey is PTSZEADHNRNXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-4-10-12(18-15-14-10)11(13-5-2)8-7-9-19(16,17)6-3/h11,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine?
N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-ethylsulfonyl-1-(4-ethylthiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105152683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).