1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide

C13H18BrN3OS — CID 79582299

IUPAC1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCCC1CCSc1ccc(Br)cn1
InChIInChI=1S/C13H18BrN3OS/c14-10-3-4-11(17-8-10)19-7-5-9-2-1-6-13(9,16)12(15)18/h3-4,8-9H,1-2,5-7,16H2,(H2,15,18)
InChIKeyKDKKUALHAQOVME-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.31
Rot. Bonds5

About 1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide (PubChem CID 79582299) has the molecular formula C13H18BrN3OS and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide
PubChem CID79582299
Molecular FormulaC13H18BrN3OS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCCC1CCSc1ccc(Br)cn1
InChIInChI=1S/C13H18BrN3OS/c14-10-3-4-11(17-8-10)19-7-5-9-2-1-6-13(9,16)12(15)18/h3-4,8-9H,1-2,5-7,16H2,(H2,15,18)
InChIKeyKDKKUALHAQOVME-UHFFFAOYSA-N
XLogP2.31
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.31
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-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide (CID 79582299) is 1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide is NC(=O)C1(N)CCCC1CCSc1ccc(Br)cn1.
What is the InChIKey of 1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is KDKKUALHAQOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3OS/c14-10-3-4-11(17-8-10)19-7-5-9-2-1-6-13(9,16)12(15)18/h3-4,8-9H,1-2,5-7,16H2,(H2,15,18).
What are the key properties of 1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 344.28 g/mol, XLogP of 2.31, 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-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79582299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).