3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol

C9H21NOS — CID 112663299

IUPAC3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol
SMILESCSCC(C)N(C)C(C)C(C)O
InChIInChI=1S/C9H21NOS/c1-7(6-12-5)10(4)8(2)9(3)11/h7-9,11H,6H2,1-5H3
InChIKeyDFRGXEPNYYEGPQ-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.44
Rot. Bonds5

About 3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol

3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol (PubChem CID 112663299) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol
PubChem CID112663299
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol
SMILESCSCC(C)N(C)C(C)C(C)O
InChIInChI=1S/C9H21NOS/c1-7(6-12-5)10(4)8(2)9(3)11/h7-9,11H,6H2,1-5H3
InChIKeyDFRGXEPNYYEGPQ-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
CID 157248032
3-[methyl(propan-2-yl)amino]butan-2-ol
CID 58823788
2-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoic acid
CID 112661600
1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112658794
1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine
CID 112665854
1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658627
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 112658549
3-N-methyl-1-N-(2-methylpropyl)-3-N-(1-methylsulfanylpropan-2-yl)butane-1,3-diamine
CID 112665972
N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658601
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
CID 112702867

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol?
The IUPAC name of 3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol (CID 112663299) is 3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol.
What is the SMILES notation for 3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol?
The canonical SMILES for 3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol is CSCC(C)N(C)C(C)C(C)O.
What is the InChIKey of 3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol?
The InChIKey is DFRGXEPNYYEGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-7(6-12-5)10(4)8(2)9(3)11/h7-9,11H,6H2,1-5H3.
What are the key properties of 3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol?
3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol has a molecular weight of 191.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-ol is sourced from PubChem (CID 112663299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).