2-[methyl(2-sulfanylethyl)amino]propan-1-ol

C6H15NOS — CID 104556945

IUPAC2-[methyl(2-sulfanylethyl)amino]propan-1-ol
SMILESCC(CO)N(C)CCS
InChIInChI=1S/C6H15NOS/c1-6(5-8)7(2)3-4-9/h6,8-9H,3-5H2,1-2H3
InChIKeyHZTQJTDGXOQJOK-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.23
Rot. Bonds4

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

2-[methyl(2-sulfanylethyl)amino]propan-1-ol (PubChem CID 104556945) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-[methyl(2-sulfanylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl(2-sulfanylethyl)amino]propan-1-ol
PubChem CID104556945
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name2-[methyl(2-sulfanylethyl)amino]propan-1-ol
SMILESCC(CO)N(C)CCS
InChIInChI=1S/C6H15NOS/c1-6(5-8)7(2)3-4-9/h6,8-9H,3-5H2,1-2H3
InChIKeyHZTQJTDGXOQJOK-UHFFFAOYSA-N
XLogP0.23
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(6-sulfanylhexyl)amino]propan-1-ol
CID 104556960
2-[5-chloropentyl(methyl)amino]propan-1-ol
CID 104553871
2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
CID 104554695
2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115773280
2-[(4-amino-3,3-dimethylbutyl)-methylamino]propan-1-ol
CID 104551463
2-[hept-6-enyl(methyl)amino]propan-1-ol
CID 107010121
6-[1-hydroxypropan-2-yl(methyl)amino]hexanoic acid
CID 104552515
2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
CID 115772235
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
2-[[4,4-dimethyl-3-(methylamino)pentyl]-methylamino]propan-1-ol
CID 104554609
2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol
CID 104553861
2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 115772259

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-sulfanylethyl)amino]propan-1-ol?
The IUPAC name of 2-[methyl(2-sulfanylethyl)amino]propan-1-ol (CID 104556945) is 2-[methyl(2-sulfanylethyl)amino]propan-1-ol.
What is the SMILES notation for 2-[methyl(2-sulfanylethyl)amino]propan-1-ol?
The canonical SMILES for 2-[methyl(2-sulfanylethyl)amino]propan-1-ol is CC(CO)N(C)CCS.
What is the InChIKey of 2-[methyl(2-sulfanylethyl)amino]propan-1-ol?
The InChIKey is HZTQJTDGXOQJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(5-8)7(2)3-4-9/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-[methyl(2-sulfanylethyl)amino]propan-1-ol?
2-[methyl(2-sulfanylethyl)amino]propan-1-ol has a molecular weight of 149.26 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-sulfanylethyl)amino]propan-1-ol is sourced from PubChem (CID 104556945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).