N-ethyl-6-propylsulfinylhexan-3-amine

C11H25NOS — CID 106807953

IUPACN-ethyl-6-propylsulfinylhexan-3-amine
SMILESCCCS(=O)CCCC(CC)NCC
InChIInChI=1S/C11H25NOS/c1-4-9-14(13)10-7-8-11(5-2)12-6-3/h11-12H,4-10H2,1-3H3
InChIKeyHEVGYTYKKKBWTR-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.31
Rot. Bonds9

About N-ethyl-6-propylsulfinylhexan-3-amine

N-ethyl-6-propylsulfinylhexan-3-amine (PubChem CID 106807953) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is N-ethyl-6-propylsulfinylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-propylsulfinylhexan-3-amine
PubChem CID106807953
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC NameN-ethyl-6-propylsulfinylhexan-3-amine
SMILESCCCS(=O)CCCC(CC)NCC
InChIInChI=1S/C11H25NOS/c1-4-9-14(13)10-7-8-11(5-2)12-6-3/h11-12H,4-10H2,1-3H3
InChIKeyHEVGYTYKKKBWTR-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-ethyl-6-propylsulfinylhexan-3-amine?
The IUPAC name of N-ethyl-6-propylsulfinylhexan-3-amine (CID 106807953) is N-ethyl-6-propylsulfinylhexan-3-amine.
What is the SMILES notation for N-ethyl-6-propylsulfinylhexan-3-amine?
The canonical SMILES for N-ethyl-6-propylsulfinylhexan-3-amine is CCCS(=O)CCCC(CC)NCC.
What is the InChIKey of N-ethyl-6-propylsulfinylhexan-3-amine?
The InChIKey is HEVGYTYKKKBWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-4-9-14(13)10-7-8-11(5-2)12-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-ethyl-6-propylsulfinylhexan-3-amine?
N-ethyl-6-propylsulfinylhexan-3-amine has a molecular weight of 219.39 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-propylsulfinylhexan-3-amine is sourced from PubChem (CID 106807953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).