N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine

C11H19N3S2 — CID 64648028

IUPACN-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1nncs1
InChIInChI=1S/C11H19N3S2/c1-3-12-9-5-4-8(2)6-10(9)16-11-14-13-7-15-11/h7-10,12H,3-6H2,1-2H3
InChIKeyIFYDNHRTLVOWAK-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.80
Rot. Bonds4

About N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine

N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64648028) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID64648028
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1nncs1
InChIInChI=1S/C11H19N3S2/c1-3-12-9-5-4-8(2)6-10(9)16-11-14-13-7-15-11/h7-10,12H,3-6H2,1-2H3
InChIKeyIFYDNHRTLVOWAK-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine (CID 64648028) is N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine is CCNC1CCC(C)CC1Sc1nncs1.
What is the InChIKey of N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is IFYDNHRTLVOWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-3-12-9-5-4-8(2)6-10(9)16-11-14-13-7-15-11/h7-10,12H,3-6H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 257.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64648028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).