3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol

C10H23NO2S — CID 64898019

IUPAC3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol
SMILESCCNC(CCO)CS(=O)CC(C)C
InChIInChI=1S/C10H23NO2S/c1-4-11-10(5-6-12)8-14(13)7-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyRQSWQRCFWZBMIY-UHFFFAOYSA-N
MW221.37 g/mol
LogP0.75
Rot. Bonds8

About 3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol

3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol (PubChem CID 64898019) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol
PubChem CID64898019
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol
SMILESCCNC(CCO)CS(=O)CC(C)C
InChIInChI=1S/C10H23NO2S/c1-4-11-10(5-6-12)8-14(13)7-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyRQSWQRCFWZBMIY-UHFFFAOYSA-N
XLogP0.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol (CID 64898019) is 3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol is CCNC(CCO)CS(=O)CC(C)C.
What is the InChIKey of 3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol?
The InChIKey is RQSWQRCFWZBMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-4-11-10(5-6-12)8-14(13)7-9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol?
3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol has a molecular weight of 221.37 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol is sourced from PubChem (CID 64898019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).