1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine

C9H21NO2S — CID 107508809

IUPAC1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine
SMILESCCCCS(=O)CC(COC)NC
InChIInChI=1S/C9H21NO2S/c1-4-5-6-13(11)8-9(10-2)7-12-3/h9-10H,4-8H2,1-3H3
InChIKeyQXNDYVZYFBCNQR-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.77
Rot. Bonds8

About 1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine

1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine (PubChem CID 107508809) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine
PubChem CID107508809
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine
SMILESCCCCS(=O)CC(COC)NC
InChIInChI=1S/C9H21NO2S/c1-4-5-6-13(11)8-9(10-2)7-12-3/h9-10H,4-8H2,1-3H3
InChIKeyQXNDYVZYFBCNQR-UHFFFAOYSA-N
XLogP0.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylsulfinyl-3-methoxypropan-2-amine
CID 107508808
1-(2-methoxyethylsulfinyl)-N-methylbutan-2-amine
CID 64652884
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
N,N-diethyl-2-[3-methoxy-2-(methylamino)propyl]sulfinylacetamide
CID 114232956
1-butylsulfinyl-N-ethylbutan-2-amine
CID 64651265
(1-butylsulfinyl-3-methoxypropan-2-yl) acetate
CID 3380231
N-ethyl-1-(3-methoxypropylsulfinyl)pentan-2-amine
CID 64660381
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726
2-butylsulfinyl-1-cyclopropyl-N-methylethanamine
CID 64653724
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine
CID 64659989
1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine
CID 107508704

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine (CID 107508809) is 1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine is CCCCS(=O)CC(COC)NC.
What is the InChIKey of 1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine?
The InChIKey is QXNDYVZYFBCNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-5-6-13(11)8-9(10-2)7-12-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine?
1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 107508809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).