N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide

C11H25N3O3S — CID 55225949

IUPACN-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide
SMILESCCOCCN(CC)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H25N3O3S/c1-3-13(10-11-17-4-2)18(15,16)14-8-5-6-12-7-9-14/h12H,3-11H2,1-2H3
InChIKeyJAPAVAMJSANKIB-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.12
Rot. Bonds7

About N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide

N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide (PubChem CID 55225949) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide
PubChem CID55225949
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide
SMILESCCOCCN(CC)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H25N3O3S/c1-3-13(10-11-17-4-2)18(15,16)14-8-5-6-12-7-9-14/h12H,3-11H2,1-2H3
InChIKeyJAPAVAMJSANKIB-UHFFFAOYSA-N
XLogP-0.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.12
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-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide (CID 55225949) is N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide is CCOCCN(CC)S(=O)(=O)N1CCCNCC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide?
The InChIKey is JAPAVAMJSANKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-3-13(10-11-17-4-2)18(15,16)14-8-5-6-12-7-9-14/h12H,3-11H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide?
N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 55225949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).