1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol

C9H21NO2S — CID 115477034

IUPAC1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol
SMILESCCNCC(O)CS(=O)CC(C)C
InChIInChI=1S/C9H21NO2S/c1-4-10-5-9(11)7-13(12)6-8(2)3/h8-11H,4-7H2,1-3H3
InChIKeyADDVKGVVHFAQFY-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.36
Rot. Bonds7

About 1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol

1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol (PubChem CID 115477034) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol
PubChem CID115477034
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol
SMILESCCNCC(O)CS(=O)CC(C)C
InChIInChI=1S/C9H21NO2S/c1-4-10-5-9(11)7-13(12)6-8(2)3/h8-11H,4-7H2,1-3H3
InChIKeyADDVKGVVHFAQFY-UHFFFAOYSA-N
XLogP0.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfinyl-3-(ethylamino)propan-2-ol
CID 115476936
1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol
CID 115477120
1-(ethylamino)-3-fluoropropan-2-ol
CID 59154890
1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol
CID 107766128
3-(ethylamino)-4-(2-methylpropylsulfinyl)butan-1-ol
CID 64898019
1-amino-3-(ethylamino)propan-2-ol
CID 20604769
1-(ethylamino)-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 115476910
(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108
1-[(2-chlorophenyl)methylsulfinyl]-3-(2-methylpropylamino)propan-2-ol
CID 103291640
1-tert-butylsulfinyl-3-(propylamino)propan-2-ol
CID 115476964
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734200

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol (CID 115477034) is 1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol is CCNCC(O)CS(=O)CC(C)C.
What is the InChIKey of 1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol?
The InChIKey is ADDVKGVVHFAQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-10-5-9(11)7-13(12)6-8(2)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol?
1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol has a molecular weight of 207.34 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methylpropylsulfinyl)propan-2-ol is sourced from PubChem (CID 115477034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).