(2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide

C17H24N2OS — CID 53248093

IUPAC(2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide
SMILESC=CCN(CC=C)C(=S)[C@H](C)[C@@H](O)CCc1ccccn1
InChIInChI=1S/C17H24N2OS/c1-4-12-19(13-5-2)17(21)14(3)16(20)10-9-15-8-6-7-11-18-15/h4-8,11,14,16,20H,1-2,9-10,12-13H2,3H3/t14-,16+/m1/s1
InChIKeyJYHBABZLARMKRU-ZBFHGGJFSA-N
MW304.46 g/mol
LogP3.01
Rot. Bonds9

About (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide

(2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide (PubChem CID 53248093) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide
PubChem CID53248093
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name(2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide
SMILESC=CCN(CC=C)C(=S)[C@H](C)[C@@H](O)CCc1ccccn1
InChIInChI=1S/C17H24N2OS/c1-4-12-19(13-5-2)17(21)14(3)16(20)10-9-15-8-6-7-11-18-15/h4-8,11,14,16,20H,1-2,9-10,12-13H2,3H3/t14-,16+/m1/s1
InChIKeyJYHBABZLARMKRU-ZBFHGGJFSA-N
XLogP3.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide with MolForge

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Related Compounds

1-pyridin-2-yldec-9-en-3-ol
CID 107012287
N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide
CID 113340650
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
(E)-4-oxo-4-[prop-2-enyl(pyridin-2-ylmethyl)amino]but-2-enoic acid
CID 39349109
N-ethyl-5-pyridin-2-ylpent-1-en-3-amine
CID 105161265
2-prop-2-enylpyridine
CID 3015241
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-pyridin-2-ylethoxymethanedithioate
CID 175683293
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide?
The IUPAC name of (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide (CID 53248093) is (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide?
The canonical SMILES for (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide is C=CCN(CC=C)C(=S)[C@H](C)[C@@H](O)CCc1ccccn1.
What is the InChIKey of (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide?
The InChIKey is JYHBABZLARMKRU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-12-19(13-5-2)17(21)14(3)16(20)10-9-15-8-6-7-11-18-15/h4-8,11,14,16,20H,1-2,9-10,12-13H2,3H3/t14-,16+/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide?
(2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide has a molecular weight of 304.46 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide is sourced from PubChem (CID 53248093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).