6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine

C9H17N3S3 — CID 106808519

IUPAC6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
SMILESCCC(N)CCCSc1nnc(SC)s1
InChIInChI=1S/C9H17N3S3/c1-3-7(10)5-4-6-14-9-12-11-8(13-2)15-9/h7H,3-6,10H2,1-2H3
InChIKeyLIFIBDPOHGOCBR-UHFFFAOYSA-N
MW263.46 g/mol
LogP2.87
Rot. Bonds7

About 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine

6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine (PubChem CID 106808519) has the molecular formula C9H17N3S3 and a molecular weight of 263.46 g/mol. Its IUPAC name is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine.

Molecular Properties

Compound Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
PubChem CID106808519
Molecular FormulaC9H17N3S3
Molecular Weight263.46 g/mol
Exact Mass263.06
IUPAC Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
SMILESCCC(N)CCCSc1nnc(SC)s1
InChIInChI=1S/C9H17N3S3/c1-3-7(10)5-4-6-14-9-12-11-8(13-2)15-9/h7H,3-6,10H2,1-2H3
InChIKeyLIFIBDPOHGOCBR-UHFFFAOYSA-N
XLogP2.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
CID 115384098
2-(3-bromopropylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 115382657
3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentane-1-thiol
CID 115384298
N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 115383292
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
CID 115384185
N-tert-butyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 115383711
2-methylsulfanyl-5-[11-(prop-1-en-2-yloxymethoxy)undecylsulfanyl]-1,3,4-thiadiazole
CID 20740540
6-(2-methylphenyl)sulfanylhexan-3-amine
CID 106808325
2,2-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide
CID 115383063
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-3-amine
CID 106808273
5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 113298607
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-2-amine
CID 64648507

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine?
The IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine (CID 106808519) is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine.
What is the SMILES notation for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine?
The canonical SMILES for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine is CCC(N)CCCSc1nnc(SC)s1.
What is the InChIKey of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine?
The InChIKey is LIFIBDPOHGOCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S3/c1-3-7(10)5-4-6-14-9-12-11-8(13-2)15-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine?
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine has a molecular weight of 263.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine is sourced from PubChem (CID 106808519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).