N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C11H21N3O3S2 — CID 104522764

IUPACN-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCOCCNCCCc1nnc(C(C)S(C)(=O)=O)s1
InChIInChI=1S/C11H21N3O3S2/c1-9(19(3,15)16)11-14-13-10(18-11)5-4-6-12-7-8-17-2/h9,12H,4-8H2,1-3H3
InChIKeySKQZMNZXZQOGDN-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.81
Rot. Bonds9

About N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine

N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 104522764) has the molecular formula C11H21N3O3S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID104522764
Molecular FormulaC11H21N3O3S2
Molecular Weight307.44 g/mol
Exact Mass307.10
IUPAC NameN-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCOCCNCCCc1nnc(C(C)S(C)(=O)=O)s1
InChIInChI=1S/C11H21N3O3S2/c1-9(19(3,15)16)11-14-13-10(18-11)5-4-6-12-7-8-17-2/h9,12H,4-8H2,1-3H3
InChIKeySKQZMNZXZQOGDN-UHFFFAOYSA-N
XLogP0.81
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 113422543
N-(2-methoxyethyl)-3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 112605790
3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 114754218
N-(2-methoxyethyl)-3-[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 83138106
N-(2-methoxyethyl)-3-[5-(2-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 79212727
3-[5-[3-(2-methoxyethylamino)propyl]-1,3,4-thiadiazol-2-yl]-2-methylphenol
CID 82811298
3-[5-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 81448876
N-(2-methoxyethyl)-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104633095
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
2-methyl-N-[3-[5-(propoxymethyl)-1,3,4-thiadiazol-2-yl]propyl]propan-1-amine
CID 107941994
N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-1-amine
CID 103213324

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 104522764) is N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is COCCNCCCc1nnc(C(C)S(C)(=O)=O)s1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is SKQZMNZXZQOGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S2/c1-9(19(3,15)16)11-14-13-10(18-11)5-4-6-12-7-8-17-2/h9,12H,4-8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 104522764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).