2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine

C14H21ClN2S — CID 64735005

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Sc1ccc(Cl)cn1
InChIInChI=1S/C14H21ClN2S/c1-9-6-10(2)14(12(7-9)16-3)18-13-5-4-11(15)8-17-13/h4-5,8-10,12,14,16H,6-7H2,1-3H3
InChIKeyIOHSLXNTPYAFGE-UHFFFAOYSA-N
MW284.86 g/mol
LogP3.85
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine

2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64735005) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64735005
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Sc1ccc(Cl)cn1
InChIInChI=1S/C14H21ClN2S/c1-9-6-10(2)14(12(7-9)16-3)18-13-5-4-11(15)8-17-13/h4-5,8-10,12,14,16H,6-7H2,1-3H3
InChIKeyIOHSLXNTPYAFGE-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine (CID 64735005) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1Sc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is IOHSLXNTPYAFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c1-9-6-10(2)14(12(7-9)16-3)18-13-5-4-11(15)8-17-13/h4-5,8-10,12,14,16H,6-7H2,1-3H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 284.86 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64735005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).