2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C15H21N3OS — CID 43300568

IUPAC2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESNc1cccnc1SCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H21N3OS/c16-13-7-4-9-18-15(13)20-11-14(19)17-10-8-12-5-2-1-3-6-12/h4-5,7,9H,1-3,6,8,10-11,16H2,(H,17,19)
InChIKeyCHBLFRHBCYWPMA-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.76
Rot. Bonds6

About 2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 43300568) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID43300568
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESNc1cccnc1SCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H21N3OS/c16-13-7-4-9-18-15(13)20-11-14(19)17-10-8-12-5-2-1-3-6-12/h4-5,7,9H,1-3,6,8,10-11,16H2,(H,17,19)
InChIKeyCHBLFRHBCYWPMA-UHFFFAOYSA-N
XLogP2.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridine-3-carboxamide
CID 5151631
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide
CID 71802622
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 46392397
2-(2-amino-5-methylphenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 79128805
2-(4-amino-3-fluorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 79130783
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide
CID 43300833
ethyl 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylacetate
CID 78760493
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 958817
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 2463036
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104441

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 43300568) is 2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is Nc1cccnc1SCC(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is CHBLFRHBCYWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c16-13-7-4-9-18-15(13)20-11-14(19)17-10-8-12-5-2-1-3-6-12/h4-5,7,9H,1-3,6,8,10-11,16H2,(H,17,19).
What are the key properties of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 291.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 43300568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).