N-(3-ethoxypropyl)-1,1-dioxothian-4-amine

C10H21NO3S — CID 43511558

IUPACN-(3-ethoxypropyl)-1,1-dioxothian-4-amine
SMILESCCOCCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO3S/c1-2-14-7-3-6-11-10-4-8-15(12,13)9-5-10/h10-11H,2-9H2,1H3
InChIKeyBVONHCQDWDBUAE-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.58
Rot. Bonds6

About N-(3-ethoxypropyl)-1,1-dioxothian-4-amine

N-(3-ethoxypropyl)-1,1-dioxothian-4-amine (PubChem CID 43511558) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1,1-dioxothian-4-amine
PubChem CID43511558
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-(3-ethoxypropyl)-1,1-dioxothian-4-amine
SMILESCCOCCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO3S/c1-2-14-7-3-6-11-10-4-8-15(12,13)9-5-10/h10-11H,2-9H2,1H3
InChIKeyBVONHCQDWDBUAE-UHFFFAOYSA-N
XLogP0.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-ethoxypropyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(3-ethoxypropyl)-1,1-dioxothian-4-amine (CID 43511558) is N-(3-ethoxypropyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1,1-dioxothian-4-amine is CCOCCCNC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1,1-dioxothian-4-amine?
The InChIKey is BVONHCQDWDBUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-14-7-3-6-11-10-4-8-15(12,13)9-5-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-1,1-dioxothian-4-amine?
N-(3-ethoxypropyl)-1,1-dioxothian-4-amine has a molecular weight of 235.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).