N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

C11H19N3S2 — CID 62577881

IUPACN-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESc1nnc(SCCNCC2CCCCC2)s1
InChIInChI=1S/C11H19N3S2/c1-2-4-10(5-3-1)8-12-6-7-15-11-14-13-9-16-11/h9-10,12H,1-8H2
InChIKeyPBJRVZCFXSCAER-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.80
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (PubChem CID 62577881) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
PubChem CID62577881
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESc1nnc(SCCNCC2CCCCC2)s1
InChIInChI=1S/C11H19N3S2/c1-2-4-10(5-3-1)8-12-6-7-15-11-14-13-9-16-11/h9-10,12H,1-8H2
InChIKeyPBJRVZCFXSCAER-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 62577060
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)butyl]cyclopropanamine
CID 62577257
1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755410
(2S)-N-(cyclobutylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94193477
N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine
CID 79576785
N-(cyclohexylmethyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102925969
N-(cyclopentylmethyl)-2-pyrazin-2-ylsulfanylethanamine
CID 63381588
1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755413
1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclobutan-1-ol
CID 131019264
N-[2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
CID 103068311
N-carbamoyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 47135643
N-(cyclopentylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65040982

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (CID 62577881) is N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is c1nnc(SCCNCC2CCCCC2)s1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The InChIKey is PBJRVZCFXSCAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-2-4-10(5-3-1)8-12-6-7-15-11-14-13-9-16-11/h9-10,12H,1-8H2.
What are the key properties of N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine has a molecular weight of 257.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 62577881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).