N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine

C11H21N3OS3 — CID 114228938

IUPACN-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
SMILESCCNC(CSc1nnc(SC)s1)C(C)(C)OC
InChIInChI=1S/C11H21N3OS3/c1-6-12-8(11(2,3)15-4)7-17-10-14-13-9(16-5)18-10/h8,12H,6-7H2,1-5H3
InChIKeyYPWXPTDMTAXLRH-UHFFFAOYSA-N
MW307.51 g/mol
LogP2.76
Rot. Bonds8

About N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine

N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine (PubChem CID 114228938) has the molecular formula C11H21N3OS3 and a molecular weight of 307.51 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
PubChem CID114228938
Molecular FormulaC11H21N3OS3
Molecular Weight307.51 g/mol
Exact Mass307.08
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
SMILESCCNC(CSc1nnc(SC)s1)C(C)(C)OC
InChIInChI=1S/C11H21N3OS3/c1-6-12-8(11(2,3)15-4)7-17-10-14-13-9(16-5)18-10/h8,12H,6-7H2,1-5H3
InChIKeyYPWXPTDMTAXLRH-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine with MolForge

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Related Compounds

2-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 115383549
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
CID 115384098
1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 104756010
methyl 2-bromo-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 115382603
3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
CID 115384115
(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 106933430
methyl 2-(ethylamino)-2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 113298748
2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 22889812
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
CID 78912038
1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
CID 78912068
N,3,3-trimethyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine
CID 64650069
5-[2-(ethylamino)-3-methoxypropyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 107511193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine (CID 114228938) is N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine is CCNC(CSc1nnc(SC)s1)C(C)(C)OC.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine?
The InChIKey is YPWXPTDMTAXLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS3/c1-6-12-8(11(2,3)15-4)7-17-10-14-13-9(16-5)18-10/h8,12H,6-7H2,1-5H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine?
N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine has a molecular weight of 307.51 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-amine is sourced from PubChem (CID 114228938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).