N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine

C16H25ClN2S — CID 104755834

IUPACN-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(Cl)cn1)C1CCCCC1
InChIInChI=1S/C16H25ClN2S/c1-2-10-18-15(13-6-4-3-5-7-13)12-20-16-9-8-14(17)11-19-16/h8-9,11,13,15,18H,2-7,10,12H2,1H3
InChIKeyJFKSILRQJQYSQX-UHFFFAOYSA-N
MW312.91 g/mol
LogP4.78
Rot. Bonds7

About N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine

N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine (PubChem CID 104755834) has the molecular formula C16H25ClN2S and a molecular weight of 312.91 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
PubChem CID104755834
Molecular FormulaC16H25ClN2S
Molecular Weight312.91 g/mol
Exact Mass312.14
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(Cl)cn1)C1CCCCC1
InChIInChI=1S/C16H25ClN2S/c1-2-10-18-15(13-6-4-3-5-7-13)12-20-16-9-8-14(17)11-19-16/h8-9,11,13,15,18H,2-7,10,12H2,1H3
InChIKeyJFKSILRQJQYSQX-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.91
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755832
N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755528
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
N-[1-cyclopentyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755524
1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 113449525
N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
CID 104755082
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine
CID 64629049
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
N-[1-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 104755425

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine (CID 104755834) is N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine is CCCNC(CSc1ccc(Cl)cn1)C1CCCCC1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine?
The InChIKey is JFKSILRQJQYSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2S/c1-2-10-18-15(13-6-4-3-5-7-13)12-20-16-9-8-14(17)11-19-16/h8-9,11,13,15,18H,2-7,10,12H2,1H3.
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine?
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine has a molecular weight of 312.91 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine is sourced from PubChem (CID 104755834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).