N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine

C8H15N3O2S2 — CID 105113544

IUPACN-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cnns1
InChIInChI=1S/C8H15N3O2S2/c1-9-7(8-6-10-11-14-8)4-3-5-15(2,12)13/h6-7,9H,3-5H2,1-2H3
InChIKeyVGHYTRIAXREIJZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.62
Rot. Bonds6

About N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine

N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine (PubChem CID 105113544) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine
PubChem CID105113544
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC NameN-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cnns1
InChIInChI=1S/C8H15N3O2S2/c1-9-7(8-6-10-11-14-8)4-3-5-15(2,12)13/h6-7,9H,3-5H2,1-2H3
InChIKeyVGHYTRIAXREIJZ-UHFFFAOYSA-N
XLogP0.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(thiadiazol-5-yl)decan-1-amine
CID 105124492
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine
CID 107011981
N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine
CID 105149257
N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192034
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105113420
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
CID 63192032
N-methyl-4-methylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-amine
CID 115820921
1-(3,5-difluorophenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192091
N-ethyl-1-(thiadiazol-5-yl)hexan-1-amine
CID 105129677
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820928
N-methyl-3-(2-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)propan-1-amine
CID 103030587

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine?
The IUPAC name of N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine (CID 105113544) is N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine is CNC(CCCS(C)(=O)=O)c1cnns1.
What is the InChIKey of N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine?
The InChIKey is VGHYTRIAXREIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-9-7(8-6-10-11-14-8)4-3-5-15(2,12)13/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine?
N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105113544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).