4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine

C11H21N3O2S2 — CID 105152621

IUPAC4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1cnsn1
InChIInChI=1S/C11H21N3O2S2/c1-3-7-12-10(11-9-13-17-14-11)6-5-8-18(15,16)4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyYOFDTYJGEMSMBX-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.79
Rot. Bonds9

About 4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine

4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine (PubChem CID 105152621) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
PubChem CID105152621
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC Name4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1cnsn1
InChIInChI=1S/C11H21N3O2S2/c1-3-7-12-10(11-9-13-17-14-11)6-5-8-18(15,16)4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyYOFDTYJGEMSMBX-UHFFFAOYSA-N
XLogP1.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105140099
N-propyl-1-(1,2,5-thiadiazol-3-yl)pent-4-yn-1-amine
CID 105149148
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
N-propyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108337
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214
4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 65200338
N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105166979
4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 104986249
3-(oxolan-2-yl)-N-propyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105156903
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314
1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 105113048
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 103406216

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The IUPAC name of 4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine (CID 105152621) is 4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine is CCCNC(CCCS(=O)(=O)CC)c1cnsn1.
What is the InChIKey of 4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
The InChIKey is YOFDTYJGEMSMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-3-7-12-10(11-9-13-17-14-11)6-5-8-18(15,16)4-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine?
4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine is sourced from PubChem (CID 105152621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).