N-hex-5-en-2-yl-1,1-dioxothian-4-amine

C11H21NO2S — CID 104655410

IUPACN-hex-5-en-2-yl-1,1-dioxothian-4-amine
SMILESC=CCCC(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO2S/c1-3-4-5-10(2)12-11-6-8-15(13,14)9-7-11/h3,10-12H,1,4-9H2,2H3
InChIKeyAHAGJHAHMSXPTL-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.51
Rot. Bonds5

About N-hex-5-en-2-yl-1,1-dioxothian-4-amine

N-hex-5-en-2-yl-1,1-dioxothian-4-amine (PubChem CID 104655410) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-hex-5-en-2-yl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-1,1-dioxothian-4-amine
PubChem CID104655410
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-hex-5-en-2-yl-1,1-dioxothian-4-amine
SMILESC=CCCC(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO2S/c1-3-4-5-10(2)12-11-6-8-15(13,14)9-7-11/h3,10-12H,1,4-9H2,2H3
InChIKeyAHAGJHAHMSXPTL-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-1,1-dioxothian-4-amine?
The IUPAC name of N-hex-5-en-2-yl-1,1-dioxothian-4-amine (CID 104655410) is N-hex-5-en-2-yl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-hex-5-en-2-yl-1,1-dioxothian-4-amine?
The canonical SMILES for N-hex-5-en-2-yl-1,1-dioxothian-4-amine is C=CCCC(C)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-hex-5-en-2-yl-1,1-dioxothian-4-amine?
The InChIKey is AHAGJHAHMSXPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-4-5-10(2)12-11-6-8-15(13,14)9-7-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-hex-5-en-2-yl-1,1-dioxothian-4-amine?
N-hex-5-en-2-yl-1,1-dioxothian-4-amine has a molecular weight of 231.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-1,1-dioxothian-4-amine is sourced from PubChem (CID 104655410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).