N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine

C12H27NOS — CID 107760649

IUPACN-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine
SMILESCCNC(C)CC(C)S(=O)CCC(C)C
InChIInChI=1S/C12H27NOS/c1-6-13-11(4)9-12(5)15(14)8-7-10(2)3/h10-13H,6-9H2,1-5H3
InChIKeyWMJGVYWDYJVWLT-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.56
Rot. Bonds8

About N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine

N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine (PubChem CID 107760649) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine
PubChem CID107760649
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine
SMILESCCNC(C)CC(C)S(=O)CCC(C)C
InChIInChI=1S/C12H27NOS/c1-6-13-11(4)9-12(5)15(14)8-7-10(2)3/h10-13H,6-9H2,1-5H3
InChIKeyWMJGVYWDYJVWLT-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine?
The IUPAC name of N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine (CID 107760649) is N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine is CCNC(C)CC(C)S(=O)CCC(C)C.
What is the InChIKey of N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine?
The InChIKey is WMJGVYWDYJVWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-6-13-11(4)9-12(5)15(14)8-7-10(2)3/h10-13H,6-9H2,1-5H3.
What are the key properties of N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine?
N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine has a molecular weight of 233.42 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine is sourced from PubChem (CID 107760649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).