4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine

C10H17N3S — CID 43663899

IUPAC4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2csnn2)CC1
InChIInChI=1S/C10H17N3S/c1-8-2-4-9(5-3-8)11-6-10-7-14-13-12-10/h7-9,11H,2-6H2,1H3
InChIKeyCFEGTGIOBADIJB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.21
Rot. Bonds3

About 4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine

4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 43663899) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID43663899
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCc2csnn2)CC1
InChIInChI=1S/C10H17N3S/c1-8-2-4-9(5-3-8)11-6-10-7-14-13-12-10/h7-9,11H,2-6H2,1H3
InChIKeyCFEGTGIOBADIJB-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine (CID 43663899) is 4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine is CC1CCC(NCc2csnn2)CC1.
What is the InChIKey of 4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is CFEGTGIOBADIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-2-4-9(5-3-8)11-6-10-7-14-13-12-10/h7-9,11H,2-6H2,1H3.
What are the key properties of 4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43663899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).