6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C15H25ClN2OS — CID 64821321

IUPAC6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCSc1ccc(Cl)cn1
InChIInChI=1S/C15H25ClN2OS/c1-12(2)18-15(3,11-19)8-4-5-9-20-14-7-6-13(16)10-17-14/h6-7,10,12,18-19H,4-5,8-9,11H2,1-3H3
InChIKeyCOVCDJYDSSMZCM-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.75
Rot. Bonds9

About 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64821321) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64821321
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCSc1ccc(Cl)cn1
InChIInChI=1S/C15H25ClN2OS/c1-12(2)18-15(3,11-19)8-4-5-9-20-14-7-6-13(16)10-17-14/h6-7,10,12,18-19H,4-5,8-9,11H2,1-3H3
InChIKeyCOVCDJYDSSMZCM-UHFFFAOYSA-N
XLogP3.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.75
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

5-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
CID 64821990
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol
CID 64820200
6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807219
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol
CID 64820619
4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 114792920
4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631271
2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol
CID 64807025
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810971
2-methyl-6-(3-methylbutylsulfanyl)-2-(propan-2-ylamino)hexan-1-ol
CID 107764918

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64821321) is 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCSc1ccc(Cl)cn1.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is COVCDJYDSSMZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2OS/c1-12(2)18-15(3,11-19)8-4-5-9-20-14-7-6-13(16)10-17-14/h6-7,10,12,18-19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 316.90 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64821321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).