2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile

C10H20N2OS — CID 66137296

IUPAC2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile
SMILESCCNC(C)(C#N)CSC(C)CCO
InChIInChI=1S/C10H20N2OS/c1-4-12-10(3,7-11)8-14-9(2)5-6-13/h9,12-13H,4-6,8H2,1-3H3
InChIKeyYJJMNEDFOWYTBC-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.38
Rot. Bonds7

About 2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile

2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile (PubChem CID 66137296) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile
PubChem CID66137296
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile
SMILESCCNC(C)(C#N)CSC(C)CCO
InChIInChI=1S/C10H20N2OS/c1-4-12-10(3,7-11)8-14-9(2)5-6-13/h9,12-13H,4-6,8H2,1-3H3
InChIKeyYJJMNEDFOWYTBC-UHFFFAOYSA-N
XLogP1.38
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile?
The IUPAC name of 2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile (CID 66137296) is 2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile is CCNC(C)(C#N)CSC(C)CCO.
What is the InChIKey of 2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile?
The InChIKey is YJJMNEDFOWYTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-4-12-10(3,7-11)8-14-9(2)5-6-13/h9,12-13H,4-6,8H2,1-3H3.
What are the key properties of 2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile?
2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile has a molecular weight of 216.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile is sourced from PubChem (CID 66137296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).