3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine

C13H19BrN2S — CID 64722823

IUPAC3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(Sc2ccc(Br)cn2)C1
InChIInChI=1S/C13H19BrN2S/c1-2-15-11-4-3-5-12(8-11)17-13-7-6-10(14)9-16-13/h6-7,9,11-12,15H,2-5,8H2,1H3
InChIKeyNGLRFKVTDQDXAD-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.86
Rot. Bonds4

About 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine

3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine (PubChem CID 64722823) has the molecular formula C13H19BrN2S and a molecular weight of 315.28 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
PubChem CID64722823
Molecular FormulaC13H19BrN2S
Molecular Weight315.28 g/mol
Exact Mass314.05
IUPAC Name3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(Sc2ccc(Br)cn2)C1
InChIInChI=1S/C13H19BrN2S/c1-2-15-11-4-3-5-12(8-11)17-13-7-6-10(14)9-16-13/h6-7,9,11-12,15H,2-5,8H2,1H3
InChIKeyNGLRFKVTDQDXAD-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
CID 64631654
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734811
N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 64715489
N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
CID 64724101
N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604722
2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64717791
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64718244
N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine
CID 64716116
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277
3-(3-bromophenyl)sulfanyl-N-ethylcyclopentan-1-amine
CID 64723484
3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 64722413

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine (CID 64722823) is 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine is CCNC1CCCC(Sc2ccc(Br)cn2)C1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
The InChIKey is NGLRFKVTDQDXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2S/c1-2-15-11-4-3-5-12(8-11)17-13-7-6-10(14)9-16-13/h6-7,9,11-12,15H,2-5,8H2,1H3.
What are the key properties of 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine?
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine has a molecular weight of 315.28 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64722823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).