N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine

C10H17N3S — CID 131003106

IUPACN-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine
SMILESCNC1CCCC(Cc2cnsn2)C1
InChIInChI=1S/C10H17N3S/c1-11-9-4-2-3-8(5-9)6-10-7-12-14-13-10/h7-9,11H,2-6H2,1H3
InChIKeyOAPCYGRXFXZKKA-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.86
Rot. Bonds3

About N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine

N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine (PubChem CID 131003106) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine
PubChem CID131003106
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine
SMILESCNC1CCCC(Cc2cnsn2)C1
InChIInChI=1S/C10H17N3S/c1-11-9-4-2-3-8(5-9)6-10-7-12-14-13-10/h7-9,11H,2-6H2,1H3
InChIKeyOAPCYGRXFXZKKA-UHFFFAOYSA-N
XLogP1.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
CID 107054887
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
3-[[4-(chloromethyl)azepan-1-yl]methyl]-1,2,5-thiadiazole
CID 130942599
N-methyl-3-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-amine
CID 130558804
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 114860029
3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102862060
3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine
CID 107888168
N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 130815357
3-[(1-methylpyrazol-3-yl)methyl]-N-propylcyclohexan-1-amine
CID 82870644

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine (CID 131003106) is N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine is CNC1CCCC(Cc2cnsn2)C1.
What is the InChIKey of N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is OAPCYGRXFXZKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-11-9-4-2-3-8(5-9)6-10-7-12-14-13-10/h7-9,11H,2-6H2,1H3.
What are the key properties of N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine?
N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 131003106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).