N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine

C13H24N4O2S2 — CID 105166939

IUPACN-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCN(S(C)(=O)=O)C1)c1csnn1
InChIInChI=1S/C13H24N4O2S2/c1-3-6-14-12(13-10-20-16-15-13)8-11-5-4-7-17(9-11)21(2,18)19/h10-12,14H,3-9H2,1-2H3
InChIKeyIZQDGLILWJWGII-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.64
Rot. Bonds7

About N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine

N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine (PubChem CID 105166939) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
PubChem CID105166939
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC NameN-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCN(S(C)(=O)=O)C1)c1csnn1
InChIInChI=1S/C13H24N4O2S2/c1-3-6-14-12(13-10-20-16-15-13)8-11-5-4-7-17(9-11)21(2,18)19/h10-12,14H,3-9H2,1-2H3
InChIKeyIZQDGLILWJWGII-UHFFFAOYSA-N
XLogP1.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105166979
3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105011176
1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 79612455
N-[1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-1-amine
CID 79622196
4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105166938
1-(4-bromothiophen-2-yl)-N-ethyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610527
N-propyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105078585
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
[1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105228709
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610045
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105166948
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine (CID 105166939) is N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine is CCCNC(CC1CCCN(S(C)(=O)=O)C1)c1csnn1.
What is the InChIKey of N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is IZQDGLILWJWGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-3-6-14-12(13-10-20-16-15-13)8-11-5-4-7-17(9-11)21(2,18)19/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine?
N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 332.50 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105166939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).