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

C9H15N3OS3 — CID 115384172

IUPACN-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine
SMILESCNC1CCOCC1Sc1nnc(SC)s1
InChIInChI=1S/C9H15N3OS3/c1-10-6-3-4-13-5-7(6)15-9-12-11-8(14-2)16-9/h6-7,10H,3-5H2,1-2H3
InChIKeyJXOPHUVNSLNNSK-UHFFFAOYSA-N
MW277.44 g/mol
LogP1.73
Rot. Bonds4

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

N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine (PubChem CID 115384172) has the molecular formula C9H15N3OS3 and a molecular weight of 277.44 g/mol. Its IUPAC name is N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine
PubChem CID115384172
Molecular FormulaC9H15N3OS3
Molecular Weight277.44 g/mol
Exact Mass277.04
IUPAC NameN-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine
SMILESCNC1CCOCC1Sc1nnc(SC)s1
InChIInChI=1S/C9H15N3OS3/c1-10-6-3-4-13-5-7(6)15-9-12-11-8(14-2)16-9/h6-7,10H,3-5H2,1-2H3
InChIKeyJXOPHUVNSLNNSK-UHFFFAOYSA-N
XLogP1.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine
CID 115384192
N-ethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine
CID 64650633
N-methyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64614002
N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine
CID 64628166
N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine
CID 64633862
2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 131208793
N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115384124
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyloxan-4-amine
CID 115480371
N-methyl-4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 64648110
4-tert-butyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 115384222
2-methyl-3-[4-(methylamino)oxan-3-yl]sulfanylpropan-1-ol
CID 66103233
N-methyl-3-[(2-methylphenyl)methylsulfanyl]oxan-4-amine
CID 64634212

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine?
The IUPAC name of N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine (CID 115384172) is N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine is CNC1CCOCC1Sc1nnc(SC)s1.
What is the InChIKey of N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine?
The InChIKey is JXOPHUVNSLNNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS3/c1-10-6-3-4-13-5-7(6)15-9-12-11-8(14-2)16-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine?
N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine has a molecular weight of 277.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine is sourced from PubChem (CID 115384172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).