1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide

C9H22N4O4S2 — CID 652757

IUPAC1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)N1CCCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H22N4O4S2/c1-10(2)18(14,15)12-6-5-7-13(9-8-12)19(16,17)11(3)4/h5-9H2,1-4H3
InChIKeyJTTWAWFMFQHIIG-UHFFFAOYSA-N
MW314.43 g/mol
LogP-1.39
Rot. Bonds4

About 1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide

1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide (PubChem CID 652757) has the molecular formula C9H22N4O4S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide
PubChem CID652757
Molecular FormulaC9H22N4O4S2
Molecular Weight314.43 g/mol
Exact Mass314.11
IUPAC Name1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)N1CCCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H22N4O4S2/c1-10(2)18(14,15)12-6-5-7-13(9-8-12)19(16,17)11(3)4/h5-9H2,1-4H3
InChIKeyJTTWAWFMFQHIIG-UHFFFAOYSA-N
XLogP-1.39
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide?
The IUPAC name of 1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide (CID 652757) is 1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide is CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide?
The InChIKey is JTTWAWFMFQHIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O4S2/c1-10(2)18(14,15)12-6-5-7-13(9-8-12)19(16,17)11(3)4/h5-9H2,1-4H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide?
1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide has a molecular weight of 314.43 g/mol, XLogP of -1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetramethyl-1,4-diazepane-1,4-disulfonamide is sourced from PubChem (CID 652757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).