[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol

C13H19ClN2OS — CID 79581199

IUPAC[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCSc1ccc(Cl)cn1
InChIInChI=1S/C13H19ClN2OS/c14-11-3-4-12(16-8-11)18-7-5-10-2-1-6-13(10,15)9-17/h3-4,8,10,17H,1-2,5-7,9,15H2
InChIKeyCRCUYNVPZVTROP-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.71
Rot. Bonds5

About [1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol

[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol (PubChem CID 79581199) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is [1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol
PubChem CID79581199
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCSc1ccc(Cl)cn1
InChIInChI=1S/C13H19ClN2OS/c14-11-3-4-12(16-8-11)18-7-5-10-2-1-6-13(10,15)9-17/h3-4,8,10,17H,1-2,5-7,9,15H2
InChIKeyCRCUYNVPZVTROP-UHFFFAOYSA-N
XLogP2.71
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol (CID 79581199) is [1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol is NC1(CO)CCCC1CCSc1ccc(Cl)cn1.
What is the InChIKey of [1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol?
The InChIKey is CRCUYNVPZVTROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c14-11-3-4-12(16-8-11)18-7-5-10-2-1-6-13(10,15)9-17/h3-4,8,10,17H,1-2,5-7,9,15H2.
What are the key properties of [1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol?
[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol has a molecular weight of 286.83 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).