2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol

C12H21NO2S — CID 64550167

IUPAC2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
SMILESCCC(C)(CO)NCc1ccc(CSC)o1
InChIInChI=1S/C12H21NO2S/c1-4-12(2,9-14)13-7-10-5-6-11(15-10)8-16-3/h5-6,13-14H,4,7-9H2,1-3H3
InChIKeyRTTYFJOXSOADKC-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.39
Rot. Bonds7

About 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol

2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol (PubChem CID 64550167) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
PubChem CID64550167
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
SMILESCCC(C)(CO)NCc1ccc(CSC)o1
InChIInChI=1S/C12H21NO2S/c1-4-12(2,9-14)13-7-10-5-6-11(15-10)8-16-3/h5-6,13-14H,4,7-9H2,1-3H3
InChIKeyRTTYFJOXSOADKC-UHFFFAOYSA-N
XLogP2.39
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,3-diol
CID 113344550
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-2-phenylpropan-1-ol
CID 115630548
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 113237061
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
3,3-dimethyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 103708039
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113435006
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 106328262
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 106170960
2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103253069
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
CID 43771076
2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol
CID 66408555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol?
The IUPAC name of 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol (CID 64550167) is 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol is CCC(C)(CO)NCc1ccc(CSC)o1.
What is the InChIKey of 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol?
The InChIKey is RTTYFJOXSOADKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-4-12(2,9-14)13-7-10-5-6-11(15-10)8-16-3/h5-6,13-14H,4,7-9H2,1-3H3.
What are the key properties of 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol?
2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol has a molecular weight of 243.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol is sourced from PubChem (CID 64550167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).