N-propyl-1-propylsulfinylpentan-2-amine

C11H25NOS — CID 64650923

IUPACN-propyl-1-propylsulfinylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)CCC
InChIInChI=1S/C11H25NOS/c1-4-7-11(12-8-5-2)10-14(13)9-6-3/h11-12H,4-10H2,1-3H3
InChIKeyHCLYVUNQVXTOBK-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.31
Rot. Bonds9

About N-propyl-1-propylsulfinylpentan-2-amine

N-propyl-1-propylsulfinylpentan-2-amine (PubChem CID 64650923) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is N-propyl-1-propylsulfinylpentan-2-amine.

Molecular Properties

Compound NameN-propyl-1-propylsulfinylpentan-2-amine
PubChem CID64650923
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC NameN-propyl-1-propylsulfinylpentan-2-amine
SMILESCCCNC(CCC)CS(=O)CCC
InChIInChI=1S/C11H25NOS/c1-4-7-11(12-8-5-2)10-14(13)9-6-3/h11-12H,4-10H2,1-3H3
InChIKeyHCLYVUNQVXTOBK-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-propyl-1-propylsulfinylpentan-2-amine?
The IUPAC name of N-propyl-1-propylsulfinylpentan-2-amine (CID 64650923) is N-propyl-1-propylsulfinylpentan-2-amine.
What is the SMILES notation for N-propyl-1-propylsulfinylpentan-2-amine?
The canonical SMILES for N-propyl-1-propylsulfinylpentan-2-amine is CCCNC(CCC)CS(=O)CCC.
What is the InChIKey of N-propyl-1-propylsulfinylpentan-2-amine?
The InChIKey is HCLYVUNQVXTOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-4-7-11(12-8-5-2)10-14(13)9-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-propyl-1-propylsulfinylpentan-2-amine?
N-propyl-1-propylsulfinylpentan-2-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-propyl-1-propylsulfinylpentan-2-amine is sourced from PubChem (CID 64650923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).