N-propyl-4-propylsulfinylpentan-2-amine

C11H25NOS — CID 64705214

IUPACN-propyl-4-propylsulfinylpentan-2-amine
SMILESCCCNC(C)CC(C)S(=O)CCC
InChIInChI=1S/C11H25NOS/c1-5-7-12-10(3)9-11(4)14(13)8-6-2/h10-12H,5-9H2,1-4H3
InChIKeyCAVWHCNJRFRHIM-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.31
Rot. Bonds8

About N-propyl-4-propylsulfinylpentan-2-amine

N-propyl-4-propylsulfinylpentan-2-amine (PubChem CID 64705214) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is N-propyl-4-propylsulfinylpentan-2-amine.

Molecular Properties

Compound NameN-propyl-4-propylsulfinylpentan-2-amine
PubChem CID64705214
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC NameN-propyl-4-propylsulfinylpentan-2-amine
SMILESCCCNC(C)CC(C)S(=O)CCC
InChIInChI=1S/C11H25NOS/c1-5-7-12-10(3)9-11(4)14(13)8-6-2/h10-12H,5-9H2,1-4H3
InChIKeyCAVWHCNJRFRHIM-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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 N-propyl-4-propylsulfinylpentan-2-amine?
The IUPAC name of N-propyl-4-propylsulfinylpentan-2-amine (CID 64705214) is N-propyl-4-propylsulfinylpentan-2-amine.
What is the SMILES notation for N-propyl-4-propylsulfinylpentan-2-amine?
The canonical SMILES for N-propyl-4-propylsulfinylpentan-2-amine is CCCNC(C)CC(C)S(=O)CCC.
What is the InChIKey of N-propyl-4-propylsulfinylpentan-2-amine?
The InChIKey is CAVWHCNJRFRHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-7-12-10(3)9-11(4)14(13)8-6-2/h10-12H,5-9H2,1-4H3.
What are the key properties of N-propyl-4-propylsulfinylpentan-2-amine?
N-propyl-4-propylsulfinylpentan-2-amine has a molecular weight of 219.39 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-propylsulfinylpentan-2-amine is sourced from PubChem (CID 64705214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).