5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol

C13H21ClN2OS — CID 106811132

IUPAC5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCC(CO)(CCCSc1ncccc1Cl)NC
InChIInChI=1S/C13H21ClN2OS/c1-3-13(10-17,15-2)7-5-9-18-12-11(14)6-4-8-16-12/h4,6,8,15,17H,3,5,7,9-10H2,1-2H3
InChIKeyFYEPLGNOFKDKGH-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.97
Rot. Bonds8

About 5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol

5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol (PubChem CID 106811132) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
PubChem CID106811132
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCC(CO)(CCCSc1ncccc1Cl)NC
InChIInChI=1S/C13H21ClN2OS/c1-3-13(10-17,15-2)7-5-9-18-12-11(14)6-4-8-16-12/h4,6,8,15,17H,3,5,7,9-10H2,1-2H3
InChIKeyFYEPLGNOFKDKGH-UHFFFAOYSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-((5-Chloro-2-pyridinyl)thio)ethanol
CID 2774937
(2S,4R)-2-amino-4-[(3,5-dichloro-2-pyridinyl)sulfanyl]-4-(3-fluorophenyl)butan-1-ol
CID 9968887
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-ethoxyethanamine
CID 60697203
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-1-methoxypropan-2-amine
CID 62578465
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)propan-1-amine
CID 62578466
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)butan-1-amine
CID 62578470
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethyl)propan-1-amine
CID 62578482
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-2-methoxyethanamine
CID 62578676
4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrrolidin-3-ol
CID 63705018
N-[[4-[(3-chloro-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 64368471
N-[[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 64368852
N-[[2-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluorophenyl]methyl]-2-methoxyethanamine
CID 64368855

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol (CID 106811132) is 5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol is CCC(CO)(CCCSc1ncccc1Cl)NC.
What is the InChIKey of 5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol?
The InChIKey is FYEPLGNOFKDKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-3-13(10-17,15-2)7-5-9-18-12-11(14)6-4-8-16-12/h4,6,8,15,17H,3,5,7,9-10H2,1-2H3.
What are the key properties of 5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol?
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol has a molecular weight of 288.84 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 106811132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).