2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine

C15H23BrN2S — CID 64631654

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Sc1ccc(Br)cn1
InChIInChI=1S/C15H23BrN2S/c1-3-11-5-7-13(17-4-2)14(9-11)19-15-8-6-12(16)10-18-15/h6,8,10-11,13-14,17H,3-5,7,9H2,1-2H3
InChIKeyIAHYPZCINPPYRB-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.49
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine

2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine (PubChem CID 64631654) 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,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
PubChem CID64631654
Molecular FormulaC15H23BrN2S
Molecular Weight343.33 g/mol
Exact Mass342.08
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Sc1ccc(Br)cn1
InChIInChI=1S/C15H23BrN2S/c1-3-11-5-7-13(17-4-2)14(9-11)19-15-8-6-12(16)10-18-15/h6,8,10-11,13-14,17H,3-5,7,9H2,1-2H3
InChIKeyIAHYPZCINPPYRB-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine (CID 64631654) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1Sc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine?
The InChIKey is IAHYPZCINPPYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2S/c1-3-11-5-7-13(17-4-2)14(9-11)19-15-8-6-12(16)10-18-15/h6,8,10-11,13-14,17H,3-5,7,9H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine?
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine has a molecular weight of 343.33 g/mol, XLogP of 4.49, 5 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,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 64631654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).