1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol

C8H19NOS — CID 115665602

IUPAC1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol
SMILESCSCCCN(C)CC(C)O
InChIInChI=1S/C8H19NOS/c1-8(10)7-9(2)5-4-6-11-3/h8,10H,4-7H2,1-3H3
InChIKeyXYJWEMVCGSASIK-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.05
Rot. Bonds6

About 1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol

1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol (PubChem CID 115665602) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol
PubChem CID115665602
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol
SMILESCSCCCN(C)CC(C)O
InChIInChI=1S/C8H19NOS/c1-8(10)7-9(2)5-4-6-11-3/h8,10H,4-7H2,1-3H3
InChIKeyXYJWEMVCGSASIK-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
1-[4-chlorobutyl(methyl)amino]propan-2-ol
CID 62337748
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol
CID 130490537
1-[methyl(4-methylpent-4-enyl)amino]propan-2-ol
CID 138548396
3-[methyl(2-methylsulfanylethyl)amino]propane-1,2-diol
CID 112706126
2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoic acid
CID 112661463
12-[2-hydroxypropyl(methyl)amino]dodecanoic acid
CID 88635021
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
1-N-methyl-1-N-(3-methylsulfanylpropyl)-3-phenylpropane-1,2-diamine
CID 114237563
2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 115665583

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol?
The IUPAC name of 1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol (CID 115665602) is 1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol is CSCCCN(C)CC(C)O.
What is the InChIKey of 1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol?
The InChIKey is XYJWEMVCGSASIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-8(10)7-9(2)5-4-6-11-3/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol?
1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol has a molecular weight of 177.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol is sourced from PubChem (CID 115665602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).