2-tert-butylsulfinyl-N-ethylpentan-3-amine

C11H25NOS — CID 64652351

IUPAC2-tert-butylsulfinyl-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)S(=O)C(C)(C)C
InChIInChI=1S/C11H25NOS/c1-7-10(12-8-2)9(3)14(13)11(4,5)6/h9-10,12H,7-8H2,1-6H3
InChIKeyZQUYUQWCSUKSTN-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.31
Rot. Bonds5

About 2-tert-butylsulfinyl-N-ethylpentan-3-amine

2-tert-butylsulfinyl-N-ethylpentan-3-amine (PubChem CID 64652351) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-tert-butylsulfinyl-N-ethylpentan-3-amine
PubChem CID64652351
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name2-tert-butylsulfinyl-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)S(=O)C(C)(C)C
InChIInChI=1S/C11H25NOS/c1-7-10(12-8-2)9(3)14(13)11(4,5)6/h9-10,12H,7-8H2,1-6H3
InChIKeyZQUYUQWCSUKSTN-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-N-ethylpentan-3-amine?
The IUPAC name of 2-tert-butylsulfinyl-N-ethylpentan-3-amine (CID 64652351) is 2-tert-butylsulfinyl-N-ethylpentan-3-amine.
What is the SMILES notation for 2-tert-butylsulfinyl-N-ethylpentan-3-amine?
The canonical SMILES for 2-tert-butylsulfinyl-N-ethylpentan-3-amine is CCNC(CC)C(C)S(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfinyl-N-ethylpentan-3-amine?
The InChIKey is ZQUYUQWCSUKSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-7-10(12-8-2)9(3)14(13)11(4,5)6/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 2-tert-butylsulfinyl-N-ethylpentan-3-amine?
2-tert-butylsulfinyl-N-ethylpentan-3-amine has a molecular weight of 219.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-N-ethylpentan-3-amine is sourced from PubChem (CID 64652351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).