N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine

C12H20ClN3S — CID 54948663

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)Cc2nnsc2Cl)CC1
InChIInChI=1S/C12H20ClN3S/c1-3-9-4-6-10(7-5-9)16(2)8-11-12(13)17-15-14-11/h9-10H,3-8H2,1-2H3
InChIKeyKQMXSLGAPJNCBD-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.59
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 54948663) has the molecular formula C12H20ClN3S and a molecular weight of 273.83 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID54948663
Molecular FormulaC12H20ClN3S
Molecular Weight273.83 g/mol
Exact Mass273.11
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)Cc2nnsc2Cl)CC1
InChIInChI=1S/C12H20ClN3S/c1-3-9-4-6-10(7-5-9)16(2)8-11-12(13)17-15-14-11/h9-10H,3-8H2,1-2H3
InChIKeyKQMXSLGAPJNCBD-UHFFFAOYSA-N
XLogP3.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine (CID 54948663) is N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(N(C)Cc2nnsc2Cl)CC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is KQMXSLGAPJNCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3S/c1-3-9-4-6-10(7-5-9)16(2)8-11-12(13)17-15-14-11/h9-10H,3-8H2,1-2H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 273.83 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 54948663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).