N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine

C15H26N4S — CID 43663960

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine
SMILESc1snnc1CNCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C15H26N4S/c1-3-7-15(8-4-1,19-9-5-2-6-10-19)13-16-11-14-12-20-18-17-14/h12,16H,1-11,13H2
InChIKeyNRMUWTFAPLEMEM-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.82
Rot. Bonds5

About N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine

N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine (PubChem CID 43663960) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine
PubChem CID43663960
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine
SMILESc1snnc1CNCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C15H26N4S/c1-3-7-15(8-4-1,19-9-5-2-6-10-19)13-16-11-14-12-20-18-17-14/h12,16H,1-11,13H2
InChIKeyNRMUWTFAPLEMEM-UHFFFAOYSA-N
XLogP2.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine (CID 43663960) is N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine is c1snnc1CNCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine?
The InChIKey is NRMUWTFAPLEMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-3-7-15(8-4-1,19-9-5-2-6-10-19)13-16-11-14-12-20-18-17-14/h12,16H,1-11,13H2.
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine?
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine has a molecular weight of 294.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 43663960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).