4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol

C10H21NO2S — CID 115750815

IUPAC4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
SMILESCSCCN(C)CC1(O)CCOCC1
InChIInChI=1S/C10H21NO2S/c1-11(5-8-14-2)9-10(12)3-6-13-7-4-10/h12H,3-9H2,1-2H3
InChIKeySYGHQBWNSZPYCL-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.82
Rot. Bonds5

About 4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol

4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol (PubChem CID 115750815) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
PubChem CID115750815
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
SMILESCSCCN(C)CC1(O)CCOCC1
InChIInChI=1S/C10H21NO2S/c1-11(5-8-14-2)9-10(12)3-6-13-7-4-10/h12H,3-9H2,1-2H3
InChIKeySYGHQBWNSZPYCL-UHFFFAOYSA-N
XLogP0.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-ethylsulfanylethyl(methyl)amino]methyl]oxan-4-ol
CID 114952749
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[5-chloropentyl(methyl)amino]methyl]oxan-4-ol
CID 114952437
4-[[methyl(9-sulfanylnonyl)amino]methyl]oxan-4-ol
CID 105344297
4-[[9-bromononyl(methyl)amino]methyl]oxan-4-ol
CID 105343882
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide
CID 104985357

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol (CID 115750815) is 4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol is CSCCN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol?
The InChIKey is SYGHQBWNSZPYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-11(5-8-14-2)9-10(12)3-6-13-7-4-10/h12H,3-9H2,1-2H3.
What are the key properties of 4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol?
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol has a molecular weight of 219.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 115750815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).