4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol

C14H23ClN2OS — CID 64821326

IUPAC4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Sc1ncccc1Cl
InChIInChI=1S/C14H23ClN2OS/c1-4-7-17-14(3,10-18)9-11(2)19-13-12(15)6-5-8-16-13/h5-6,8,11,17-18H,4,7,9-10H2,1-3H3
InChIKeyGAXFEQHJDARERY-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.36
Rot. Bonds8

About 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol

4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64821326) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64821326
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Sc1ncccc1Cl
InChIInChI=1S/C14H23ClN2OS/c1-4-7-17-14(3,10-18)9-11(2)19-13-12(15)6-5-8-16-13/h5-6,8,11,17-18H,4,7,9-10H2,1-3H3
InChIKeyGAXFEQHJDARERY-UHFFFAOYSA-N
XLogP3.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)butan-1-ol
CID 64819084
2-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylpentanoic acid
CID 64704573
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444
4-[(3-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 64703758
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64820388
methyl 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64703569
2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64806184
4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64807866
2-methyl-2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806828
ethyl 2-[(3-chloro-2-pyridinyl)sulfanyl]propanoate
CID 62046154
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64818569
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106811134

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol (CID 64821326) is 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)Sc1ncccc1Cl.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is GAXFEQHJDARERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-4-7-17-14(3,10-18)9-11(2)19-13-12(15)6-5-8-16-13/h5-6,8,11,17-18H,4,7,9-10H2,1-3H3.
What are the key properties of 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol?
4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 302.87 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64821326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).