1-butylsulfinyl-3-methoxypropan-2-amine

C8H19NO2S — CID 107508808

IUPAC1-butylsulfinyl-3-methoxypropan-2-amine
SMILESCCCCS(=O)CC(N)COC
InChIInChI=1S/C8H19NO2S/c1-3-4-5-12(10)7-8(9)6-11-2/h8H,3-7,9H2,1-2H3
InChIKeyRSKQASUHSWCEOM-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.51
Rot. Bonds7

About 1-butylsulfinyl-3-methoxypropan-2-amine

1-butylsulfinyl-3-methoxypropan-2-amine (PubChem CID 107508808) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-butylsulfinyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-butylsulfinyl-3-methoxypropan-2-amine
PubChem CID107508808
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name1-butylsulfinyl-3-methoxypropan-2-amine
SMILESCCCCS(=O)CC(N)COC
InChIInChI=1S/C8H19NO2S/c1-3-4-5-12(10)7-8(9)6-11-2/h8H,3-7,9H2,1-2H3
InChIKeyRSKQASUHSWCEOM-UHFFFAOYSA-N
XLogP0.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine
CID 107760473
1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
1-butylsulfinyl-3-methoxy-N-methylpropan-2-amine
CID 107508809
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
(1-butylsulfinyl-3-methoxypropan-2-yl) acetate
CID 3380231
1-butan-2-ylsulfinyl-3-methoxypropan-2-amine
CID 107508747
3-butylsulfinyl-2-methylpropan-1-amine
CID 81200794
1-(3-methoxypropylsulfinyl)-N-propylpropan-2-amine
CID 64659989
1-methoxy-3-pentoxypropan-2-amine
CID 107506771
methyl 3-heptylsulfinyl-2-methylpropanoate
CID 66112900
1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine
CID 81189513
2-amino-3-pentylsulfinylpropanoic acid
CID 103846087

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfinyl-3-methoxypropan-2-amine?
The IUPAC name of 1-butylsulfinyl-3-methoxypropan-2-amine (CID 107508808) is 1-butylsulfinyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-butylsulfinyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-butylsulfinyl-3-methoxypropan-2-amine is CCCCS(=O)CC(N)COC.
What is the InChIKey of 1-butylsulfinyl-3-methoxypropan-2-amine?
The InChIKey is RSKQASUHSWCEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-3-4-5-12(10)7-8(9)6-11-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-butylsulfinyl-3-methoxypropan-2-amine?
1-butylsulfinyl-3-methoxypropan-2-amine has a molecular weight of 193.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfinyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107508808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).