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

C11H21N3S3 — CID 113298607

IUPAC5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
SMILESCCC(N)C(Sc1nnc(SC)s1)C(C)(C)C
InChIInChI=1S/C11H21N3S3/c1-6-7(12)8(11(2,3)4)16-10-14-13-9(15-5)17-10/h7-8H,6,12H2,1-5H3
InChIKeyQDIDRKPQTDUTFW-UHFFFAOYSA-N
MW291.51 g/mol
LogP3.50
Rot. Bonds5

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

5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine (PubChem CID 113298607) has the molecular formula C11H21N3S3 and a molecular weight of 291.51 g/mol. Its IUPAC name is 5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
PubChem CID113298607
Molecular FormulaC11H21N3S3
Molecular Weight291.51 g/mol
Exact Mass291.09
IUPAC Name5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
SMILESCCC(N)C(Sc1nnc(SC)s1)C(C)(C)C
InChIInChI=1S/C11H21N3S3/c1-6-7(12)8(11(2,3)4)16-10-14-13-9(15-5)17-10/h7-8H,6,12H2,1-5H3
InChIKeyQDIDRKPQTDUTFW-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
CID 115384185
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 106808519
N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 115383697
2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 115384279
N-ethyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]heptan-4-amine
CID 113298908
3-(4-amino-2,2-dimethylhexan-3-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898077
(1S)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959625
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylbutan-2-amine
CID 115384110
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
CID 115384216
2,2-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide
CID 115383063
2-ethylsulfonyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 54306684

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine?
The IUPAC name of 5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine (CID 113298607) is 5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine?
The canonical SMILES for 5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine is CCC(N)C(Sc1nnc(SC)s1)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine?
The InChIKey is QDIDRKPQTDUTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S3/c1-6-7(12)8(11(2,3)4)16-10-14-13-9(15-5)17-10/h7-8H,6,12H2,1-5H3.
What are the key properties of 5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine?
5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine has a molecular weight of 291.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine is sourced from PubChem (CID 113298607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).