1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine

C12H23N3O2S2 — CID 105113420

IUPAC1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1snnc1C(C)(C)C
InChIInChI=1S/C12H23N3O2S2/c1-12(2,3)11-10(18-15-14-11)9(13-4)7-6-8-19(5,16)17/h9,13H,6-8H2,1-5H3
InChIKeyCLIODRVPFMYTNP-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.92
Rot. Bonds6

About 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine

1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine (PubChem CID 105113420) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
PubChem CID105113420
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1snnc1C(C)(C)C
InChIInChI=1S/C12H23N3O2S2/c1-12(2,3)11-10(18-15-14-11)9(13-4)7-6-8-19(5,16)17/h9,13H,6-8H2,1-5H3
InChIKeyCLIODRVPFMYTNP-UHFFFAOYSA-N
XLogP1.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine
CID 105291025
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
CID 105294114
N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105113544
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030592
1-(2-tert-butylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115821094
4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105113497
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
[1-(4-tert-butylthiadiazol-5-yl)-4-methylpentyl]hydrazine
CID 105294316
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine (CID 105113420) is 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine is CNC(CCCS(C)(=O)=O)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The InChIKey is CLIODRVPFMYTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-12(2,3)11-10(18-15-14-11)9(13-4)7-6-8-19(5,16)17/h9,13H,6-8H2,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 105113420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).