3-(3-methoxypropylsulfinyl)butan-1-amine

C8H19NO2S — CID 81193382

IUPAC3-(3-methoxypropylsulfinyl)butan-1-amine
SMILESCOCCCS(=O)C(C)CCN
InChIInChI=1S/C8H19NO2S/c1-8(4-5-9)12(10)7-3-6-11-2/h8H,3-7,9H2,1-2H3
InChIKeyGZGBDLPTHNEYQY-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.51
Rot. Bonds7

About 3-(3-methoxypropylsulfinyl)butan-1-amine

3-(3-methoxypropylsulfinyl)butan-1-amine (PubChem CID 81193382) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfinyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypropylsulfinyl)butan-1-amine
PubChem CID81193382
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3-(3-methoxypropylsulfinyl)butan-1-amine
SMILESCOCCCS(=O)C(C)CCN
InChIInChI=1S/C8H19NO2S/c1-8(4-5-9)12(10)7-3-6-11-2/h8H,3-7,9H2,1-2H3
InChIKeyGZGBDLPTHNEYQY-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

Computed Properties (RDKit)

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

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Related Compounds

CID 64697251
CID 64697251
CID 81186778
CID 81186778
CID 81193591
CID 81193591
CID 81194093
CID 81194093
CID 81194668
CID 81194668
CID 81195688
CID 81195688
CID 81195700
CID 81195700
CID 81328964
CID 81328964
CID 81334148
CID 81334148
CID 43445965
CID 43445965
CID 58684549
CID 58684549
CID 58684563
CID 58684563

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylsulfinyl)butan-1-amine?
The IUPAC name of 3-(3-methoxypropylsulfinyl)butan-1-amine (CID 81193382) is 3-(3-methoxypropylsulfinyl)butan-1-amine.
What is the SMILES notation for 3-(3-methoxypropylsulfinyl)butan-1-amine?
The canonical SMILES for 3-(3-methoxypropylsulfinyl)butan-1-amine is COCCCS(=O)C(C)CCN.
What is the InChIKey of 3-(3-methoxypropylsulfinyl)butan-1-amine?
The InChIKey is GZGBDLPTHNEYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-8(4-5-9)12(10)7-3-6-11-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 3-(3-methoxypropylsulfinyl)butan-1-amine?
3-(3-methoxypropylsulfinyl)butan-1-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 3-(3-methoxypropylsulfinyl)butan-1-amine is sourced from PubChem (CID 81193382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).