3-(cyclopentylsulfanylmethyl)pyridin-2-amine

C11H16N2S — CID 63115867

IUPAC3-(cyclopentylsulfanylmethyl)pyridin-2-amine
SMILESNc1ncccc1CSC1CCCC1
InChIInChI=1S/C11H16N2S/c12-11-9(4-3-7-13-11)8-14-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H2,12,13)
InChIKeyDAPYFQPLYIAHAG-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.84
Rot. Bonds3

About 3-(cyclopentylsulfanylmethyl)pyridin-2-amine

3-(cyclopentylsulfanylmethyl)pyridin-2-amine (PubChem CID 63115867) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-(cyclopentylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(cyclopentylsulfanylmethyl)pyridin-2-amine
PubChem CID63115867
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name3-(cyclopentylsulfanylmethyl)pyridin-2-amine
SMILESNc1ncccc1CSC1CCCC1
InChIInChI=1S/C11H16N2S/c12-11-9(4-3-7-13-11)8-14-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H2,12,13)
InChIKeyDAPYFQPLYIAHAG-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine
CID 62721197
1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one
CID 65138744
3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile
CID 63115074
3-(cyclopentylsulfanylmethyl)-2-fluoroaniline
CID 107349821
3-(cyclohexylsulfanylmethyl)-2-methylaniline
CID 60884494
3-[(cyclobutylamino)methyl]pyridin-2-amine
CID 117212619
3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine
CID 65144630
2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide
CID 76982857
S-[(2-amino-3-pyridinyl)methyl] ethanethioate
CID 71341899
3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 65144541
3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine
CID 116506701
3-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62469656

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 3-(cyclopentylsulfanylmethyl)pyridin-2-amine (CID 63115867) is 3-(cyclopentylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-(cyclopentylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 3-(cyclopentylsulfanylmethyl)pyridin-2-amine is Nc1ncccc1CSC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfanylmethyl)pyridin-2-amine?
The InChIKey is DAPYFQPLYIAHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-11-9(4-3-7-13-11)8-14-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2,(H2,12,13).
What are the key properties of 3-(cyclopentylsulfanylmethyl)pyridin-2-amine?
3-(cyclopentylsulfanylmethyl)pyridin-2-amine has a molecular weight of 208.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 63115867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).