N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine

C8H13N3S2 — CID 64648995

IUPACN-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
SMILESCNC1CCCC1Sc1nncs1
InChIInChI=1S/C8H13N3S2/c1-9-6-3-2-4-7(6)13-8-11-10-5-12-8/h5-7,9H,2-4H2,1H3
InChIKeyDHVXTLIHODJCHU-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine

N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine (PubChem CID 64648995) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
PubChem CID64648995
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC NameN-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
SMILESCNC1CCCC1Sc1nncs1
InChIInChI=1S/C8H13N3S2/c1-9-6-3-2-4-7(6)13-8-11-10-5-12-8/h5-7,9H,2-4H2,1H3
InChIKeyDHVXTLIHODJCHU-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
CID 64648022
2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 63099108
N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64648028
N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine
CID 87276544
N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine
CID 64647674
4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64649388
N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64648417
1-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)pyrrolidin-2-one
CID 127002454
N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine
CID 79576785
1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755413
N-methyl-2-phenylsulfanylcyclododecan-1-amine
CID 64619988
N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735978

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine?
The IUPAC name of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine (CID 64648995) is N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine is CNC1CCCC1Sc1nncs1.
What is the InChIKey of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine?
The InChIKey is DHVXTLIHODJCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-9-6-3-2-4-7(6)13-8-11-10-5-12-8/h5-7,9H,2-4H2,1H3.
What are the key properties of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine?
N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine has a molecular weight of 215.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 64648995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).