4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine

C8H15N3O2S2 — CID 105113497

IUPAC4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
SMILESCc1nnsc1C(N)CCCS(C)(=O)=O
InChIInChI=1S/C8H15N3O2S2/c1-6-8(14-11-10-6)7(9)4-3-5-15(2,12)13/h7H,3-5,9H2,1-2H3
InChIKeyRAJZSIJINDSRBP-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.67
Rot. Bonds5

About 4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine

4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine (PubChem CID 105113497) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
PubChem CID105113497
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC Name4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
SMILESCc1nnsc1C(N)CCCS(C)(=O)=O
InChIInChI=1S/C8H15N3O2S2/c1-6-8(14-11-10-6)7(9)4-3-5-15(2,12)13/h7H,3-5,9H2,1-2H3
InChIKeyRAJZSIJINDSRBP-UHFFFAOYSA-N
XLogP0.67
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 105112960
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine
CID 105291025
1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine
CID 105113206
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105113420
3-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
CID 105138486
1-(3-methyl-2-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 63192413
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 115530121
1-(2,4-difluoro-5-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820220
4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192450
hydroxy-(4-methylthiadiazol-5-yl)methanesulfonic acid
CID 130965336

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine?
The IUPAC name of 4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine (CID 105113497) is 4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine?
The canonical SMILES for 4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine is Cc1nnsc1C(N)CCCS(C)(=O)=O.
What is the InChIKey of 4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine?
The InChIKey is RAJZSIJINDSRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-6-8(14-11-10-6)7(9)4-3-5-15(2,12)13/h7H,3-5,9H2,1-2H3.
What are the key properties of 4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine?
4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(4-methylthiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105113497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).