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

C12H19ClN2OS — CID 64821990

IUPAC5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCSc1ccc(Cl)cn1
InChIInChI=1S/C12H19ClN2OS/c1-12(9-16,14-2)6-3-7-17-11-5-4-10(13)8-15-11/h4-5,8,14,16H,3,6-7,9H2,1-2H3
InChIKeyNWWXFQTWMBQUCG-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.58
Rot. Bonds7

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

5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64821990) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64821990
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCSc1ccc(Cl)cn1
InChIInChI=1S/C12H19ClN2OS/c1-12(9-16,14-2)6-3-7-17-11-5-4-10(13)8-15-11/h4-5,8,14,16H,3,6-7,9H2,1-2H3
InChIKeyNWWXFQTWMBQUCG-UHFFFAOYSA-N
XLogP2.58
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol (CID 64821990) is 5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CCCSc1ccc(Cl)cn1.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is NWWXFQTWMBQUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-12(9-16,14-2)6-3-7-17-11-5-4-10(13)8-15-11/h4-5,8,14,16H,3,6-7,9H2,1-2H3.
What are the key properties of 5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol?
5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 274.82 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64821990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).