2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine

C15H23BrN2S — CID 64734811

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1ccc(Br)cn1
InChIInChI=1S/C15H23BrN2S/c1-4-17-13-8-10(2)7-11(3)15(13)19-14-6-5-12(16)9-18-14/h5-6,9-11,13,15,17H,4,7-8H2,1-3H3
InChIKeyUANSVNCLJAXMEO-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.35
Rot. Bonds4

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64734811) has the molecular formula C15H23BrN2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64734811
Molecular FormulaC15H23BrN2S
Molecular Weight343.33 g/mol
Exact Mass342.08
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1ccc(Br)cn1
InChIInChI=1S/C15H23BrN2S/c1-4-17-13-8-10(2)7-11(3)15(13)19-14-6-5-12(16)9-18-14/h5-6,9-11,13,15,17H,4,7-8H2,1-3H3
InChIKeyUANSVNCLJAXMEO-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

2-[(5-bromo-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64734810
N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64737359
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
CID 64631654
2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64735005
N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735197
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64722823
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64736359
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734796
N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64735986
N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]cyclohexan-1-amine
CID 64621703
(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine
CID 113398353
N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64650286

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine (CID 64734811) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1Sc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is UANSVNCLJAXMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2S/c1-4-17-13-8-10(2)7-11(3)15(13)19-14-6-5-12(16)9-18-14/h5-6,9-11,13,15,17H,4,7-8H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine?
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 343.33 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64734811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).