(3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine

C11H19N3S — CID 105154268

IUPAC(3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCC1CC(C)CC(C(N)c2cnsn2)C1
InChIInChI=1S/C11H19N3S/c1-7-3-8(2)5-9(4-7)11(12)10-6-13-15-14-10/h6-9,11H,3-5,12H2,1-2H3
InChIKeyBXJDCEJJQFIPSK-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.61
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine

(3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105154268) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105154268
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name(3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCC1CC(C)CC(C(N)c2cnsn2)C1
InChIInChI=1S/C11H19N3S/c1-7-3-8(2)5-9(4-7)11(12)10-6-13-15-14-10/h6-9,11H,3-5,12H2,1-2H3
InChIKeyBXJDCEJJQFIPSK-UHFFFAOYSA-N
XLogP2.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine (CID 105154268) is (3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine is CC1CC(C)CC(C(N)c2cnsn2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is BXJDCEJJQFIPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7-3-8(2)5-9(4-7)11(12)10-6-13-15-14-10/h6-9,11H,3-5,12H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine?
(3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 225.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105154268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).