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

C9H15N3S3 — CID 115384136

IUPAC2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine
SMILESCSc1nnc(SC2CCC(N)C2C)s1
InChIInChI=1S/C9H15N3S3/c1-5-6(10)3-4-7(5)14-9-12-11-8(13-2)15-9/h5-7H,3-4,10H2,1-2H3
InChIKeyLKTWIROKCPKMJA-UHFFFAOYSA-N
MW261.44 g/mol
LogP2.48
Rot. Bonds3

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

2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine (PubChem CID 115384136) has the molecular formula C9H15N3S3 and a molecular weight of 261.44 g/mol. Its IUPAC name is 2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine
PubChem CID115384136
Molecular FormulaC9H15N3S3
Molecular Weight261.44 g/mol
Exact Mass261.04
IUPAC Name2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine
SMILESCSc1nnc(SC2CCC(N)C2C)s1
InChIInChI=1S/C9H15N3S3/c1-5-6(10)3-4-7(5)14-9-12-11-8(13-2)15-9/h5-7H,3-4,10H2,1-2H3
InChIKeyLKTWIROKCPKMJA-UHFFFAOYSA-N
XLogP2.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 115384222
2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 131208793
4-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 113298850
3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine
CID 64906333
N-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]oxan-4-amine
CID 115384172
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-one
CID 115279632
N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine
CID 115384192
N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115384124
1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
4-(2-methylbutan-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 115382971
2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784188
[4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 60876574

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine (CID 115384136) is 2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine is CSc1nnc(SC2CCC(N)C2C)s1.
What is the InChIKey of 2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine?
The InChIKey is LKTWIROKCPKMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S3/c1-5-6(10)3-4-7(5)14-9-12-11-8(13-2)15-9/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine?
2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine has a molecular weight of 261.44 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentan-1-amine is sourced from PubChem (CID 115384136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).