5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine

C15H23ClN2S — CID 63486764

IUPAC5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSCC2CCCC2)n1
InChIInChI=1S/C15H23ClN2S/c1-2-9-17-15-8-7-13(16)14(18-15)11-19-10-12-5-3-4-6-12/h7-8,12H,2-6,9-11H2,1H3,(H,17,18)
InChIKeyHTZYOTWSGUPKSZ-UHFFFAOYSA-N
MW298.88 g/mol
LogP4.98
Rot. Bonds7

About 5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine

5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine (PubChem CID 63486764) has the molecular formula C15H23ClN2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine
PubChem CID63486764
Molecular FormulaC15H23ClN2S
Molecular Weight298.88 g/mol
Exact Mass298.13
IUPAC Name5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSCC2CCCC2)n1
InChIInChI=1S/C15H23ClN2S/c1-2-9-17-15-8-7-13(16)14(18-15)11-19-10-12-5-3-4-6-12/h7-8,12H,2-6,9-11H2,1H3,(H,17,18)
InChIKeyHTZYOTWSGUPKSZ-UHFFFAOYSA-N
XLogP4.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-2-(cyclopentylmethylsulfanylmethyl)pyridine
CID 63537715
5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55127556
5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
CID 63485717
5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55262087
5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 63487271
5-chloro-6-[[cyclopropyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891819
5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486396
4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol
CID 62885661
5-chloro-6-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62892502
5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55127461
5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62885838
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine (CID 63486764) is 5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CSCC2CCCC2)n1.
What is the InChIKey of 5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine?
The InChIKey is HTZYOTWSGUPKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2S/c1-2-9-17-15-8-7-13(16)14(18-15)11-19-10-12-5-3-4-6-12/h7-8,12H,2-6,9-11H2,1H3,(H,17,18).
What are the key properties of 5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine?
5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine has a molecular weight of 298.88 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 63486764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).