2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine

C16H25ClN2S — CID 64629453

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(Sc2ncccc2Cl)C1
InChIInChI=1S/C16H25ClN2S/c1-3-6-12-8-9-14(18-4-2)15(11-12)20-16-13(17)7-5-10-19-16/h5,7,10,12,14-15,18H,3-4,6,8-9,11H2,1-2H3
InChIKeyCUKIKUIEYLMUKM-UHFFFAOYSA-N
MW312.91 g/mol
LogP4.77
Rot. Bonds6

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine (PubChem CID 64629453) has the molecular formula C16H25ClN2S and a molecular weight of 312.91 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine
PubChem CID64629453
Molecular FormulaC16H25ClN2S
Molecular Weight312.91 g/mol
Exact Mass312.14
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(Sc2ncccc2Cl)C1
InChIInChI=1S/C16H25ClN2S/c1-3-6-12-8-9-14(18-4-2)15(11-12)20-16-13(17)7-5-10-19-16/h5,7,10,12,14-15,18H,3-4,6,8-9,11H2,1-2H3
InChIKeyCUKIKUIEYLMUKM-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.91
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine with MolForge

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64631481
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine
CID 64629057
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-tert-butyl-N-ethylcyclohexan-1-amine
CID 64631848
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 63401618
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63499642
N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64650286
N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 64634854
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylcyclohexan-1-amine
CID 64630059
N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
CID 64620754
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
CID 64631654
N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64627513

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine (CID 64629453) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(Sc2ncccc2Cl)C1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine?
The InChIKey is CUKIKUIEYLMUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2S/c1-3-6-12-8-9-14(18-4-2)15(11-12)20-16-13(17)7-5-10-19-16/h5,7,10,12,14-15,18H,3-4,6,8-9,11H2,1-2H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine has a molecular weight of 312.91 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64629453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).