2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol

C10H23NOS — CID 115773348

IUPAC2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
SMILESCSCCC(C)N(C)CC(C)(C)O
InChIInChI=1S/C10H23NOS/c1-9(6-7-13-5)11(4)8-10(2,3)12/h9,12H,6-8H2,1-5H3
InChIKeyJNUGNWIJPGYETP-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.83
Rot. Bonds6

About 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol

2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol (PubChem CID 115773348) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
PubChem CID115773348
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
SMILESCSCCC(C)N(C)CC(C)(C)O
InChIInChI=1S/C10H23NOS/c1-9(6-7-13-5)11(4)8-10(2,3)12/h9,12H,6-8H2,1-5H3
InChIKeyJNUGNWIJPGYETP-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide
CID 104876505
1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 115752194
(2S)-2-amino-N,3,3-trimethyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 104876484
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
N-methyl-2-methylidene-N-(4-methylsulfanylbutan-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 103071342
1-amino-2-methyl-3-[methyl(pentan-2-yl)amino]propan-2-ol
CID 64819539
2-ethyl-4-[methyl(4-methylsulfanylbutan-2-yl)amino]but-2-enoic acid
CID 104876560
N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
CID 107036026
2-hydroxy-1-methyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104876660
ethyl 2-[(2-hydroxy-2-methylpropyl)-methylamino]propanoate
CID 79386594
N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine
CID 156542499
trans-(1S,2S)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]cyclopentan-1-ol
CID 102734969

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol (CID 115773348) is 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol is CSCCC(C)N(C)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol?
The InChIKey is JNUGNWIJPGYETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(6-7-13-5)11(4)8-10(2,3)12/h9,12H,6-8H2,1-5H3.
What are the key properties of 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol?
2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 115773348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).