N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine

C10H19NO2S — CID 60694939

IUPACN-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCCCCCCNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-2-3-4-5-7-11-10-6-8-14(12,13)9-10/h6,8,10-11H,2-5,7,9H2,1H3
InChIKeyZIBQDNLHULVWKV-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.47
Rot. Bonds6

About N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 60694939) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID60694939
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCCCCCCNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-2-3-4-5-7-11-10-6-8-14(12,13)9-10/h6,8,10-11H,2-5,7,9H2,1H3
InChIKeyZIBQDNLHULVWKV-UHFFFAOYSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 60694939) is N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine is CCCCCCNC1C=CS(=O)(=O)C1.
What is the InChIKey of N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is ZIBQDNLHULVWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-2-3-4-5-7-11-10-6-8-14(12,13)9-10/h6,8,10-11H,2-5,7,9H2,1H3.
What are the key properties of N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 217.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 60694939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).