4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol

C10H21NO2S — CID 115894377

IUPAC4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol
SMILESCSCCC(CO)NC1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-14-7-4-10(8-12)11-9-2-5-13-6-3-9/h9-12H,2-8H2,1H3
InChIKeyCPKYAJNTJCEWJI-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.87
Rot. Bonds6

About 4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol

4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol (PubChem CID 115894377) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol
PubChem CID115894377
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol
SMILESCSCCC(CO)NC1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-14-7-4-10(8-12)11-9-2-5-13-6-3-9/h9-12H,2-8H2,1H3
InChIKeyCPKYAJNTJCEWJI-UHFFFAOYSA-N
XLogP0.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
CID 61053789
4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol
CID 115711535
4-methyl-2-(oxan-4-ylamino)pentan-1-ol
CID 21355434
4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol
CID 115894360
N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
CID 115901812
2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
CID 64806225
(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432
2-(cyclohexylamino)-4-ethylsulfanylbutan-1-ol
CID 116504832
(2S)-2-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-4-methylsulfanylbutan-1-ol
CID 131949225
2-(cyclopropylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497539
2-(cyclopropylamino)-3-morpholin-4-ylpropan-1-ol
CID 64798420
3-methyl-2-(oxepan-4-ylamino)butan-1-ol
CID 79254168

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol?
The IUPAC name of 4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol (CID 115894377) is 4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol.
What is the SMILES notation for 4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol?
The canonical SMILES for 4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol is CSCCC(CO)NC1CCOCC1.
What is the InChIKey of 4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol?
The InChIKey is CPKYAJNTJCEWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-14-7-4-10(8-12)11-9-2-5-13-6-3-9/h9-12H,2-8H2,1H3.
What are the key properties of 4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol?
4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol has a molecular weight of 219.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol is sourced from PubChem (CID 115894377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).