N,N-diethyl-1,4-diazepane-1-sulfonamide

C9H21N3O2S — CID 28746717

IUPACN,N-diethyl-1,4-diazepane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C9H21N3O2S/c1-3-11(4-2)15(13,14)12-8-5-6-10-7-9-12/h10H,3-9H2,1-2H3
InChIKeyWBVFBJCNPSZMRK-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.13
Rot. Bonds4

About N,N-diethyl-1,4-diazepane-1-sulfonamide

N,N-diethyl-1,4-diazepane-1-sulfonamide (PubChem CID 28746717) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N,N-diethyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,4-diazepane-1-sulfonamide
PubChem CID28746717
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN,N-diethyl-1,4-diazepane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C9H21N3O2S/c1-3-11(4-2)15(13,14)12-8-5-6-10-7-9-12/h10H,3-9H2,1-2H3
InChIKeyWBVFBJCNPSZMRK-UHFFFAOYSA-N
XLogP-0.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of N,N-diethyl-1,4-diazepane-1-sulfonamide (CID 28746717) is N,N-diethyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N,N-diethyl-1,4-diazepane-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCNCC1.
What is the InChIKey of N,N-diethyl-1,4-diazepane-1-sulfonamide?
The InChIKey is WBVFBJCNPSZMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-11(4-2)15(13,14)12-8-5-6-10-7-9-12/h10H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-1,4-diazepane-1-sulfonamide?
N,N-diethyl-1,4-diazepane-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 28746717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).