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

C9H17N3S3 — CID 115384216

IUPACN-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
SMILESCNC(C)CC(C)Sc1nnc(SC)s1
InChIInChI=1S/C9H17N3S3/c1-6(10-3)5-7(2)14-9-12-11-8(13-4)15-9/h6-7,10H,5H2,1-4H3
InChIKeyMQMIYAGFQOPXGI-UHFFFAOYSA-N
MW263.46 g/mol
LogP2.74
Rot. Bonds6

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

N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine (PubChem CID 115384216) has the molecular formula C9H17N3S3 and a molecular weight of 263.46 g/mol. Its IUPAC name is N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
PubChem CID115384216
Molecular FormulaC9H17N3S3
Molecular Weight263.46 g/mol
Exact Mass263.06
IUPAC NameN-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
SMILESCNC(C)CC(C)Sc1nnc(SC)s1
InChIInChI=1S/C9H17N3S3/c1-6(10-3)5-7(2)14-9-12-11-8(13-4)15-9/h6-7,10H,5H2,1-4H3
InChIKeyMQMIYAGFQOPXGI-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 115383697
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041
2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 115384279
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
CID 115384110
(2R)-N-carbamoyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7820512
(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 106933430
2-[1-(4-methylphenyl)ethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 54320433
2-butan-2-ylsulfanyl-5-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)disulfanyl]-1,3,4-thiadiazole
CID 148911625
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
CID 115384098
5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 113298607
3-methyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentane-1-thiol
CID 115384298
N-ethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
CID 113298908

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine?
The IUPAC name of N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine (CID 115384216) is N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine.
What is the SMILES notation for N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine?
The canonical SMILES for N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine is CNC(C)CC(C)Sc1nnc(SC)s1.
What is the InChIKey of N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine?
The InChIKey is MQMIYAGFQOPXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S3/c1-6(10-3)5-7(2)14-9-12-11-8(13-4)15-9/h6-7,10H,5H2,1-4H3.
What are the key properties of N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine?
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine has a molecular weight of 263.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine is sourced from PubChem (CID 115384216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).