N,N,4-trimethyl-1,4-diazepane-1-sulfonamide

C8H19N3O2S — CID 59786715

IUPACN,N,4-trimethyl-1,4-diazepane-1-sulfonamide
SMILESCN1CCCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C8H19N3O2S/c1-9(2)14(12,13)11-6-4-5-10(3)7-8-11/h4-8H2,1-3H3
InChIKeyUFWYZGAGOXZFAD-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.57
Rot. Bonds2

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

N,N,4-trimethyl-1,4-diazepane-1-sulfonamide (PubChem CID 59786715) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N,N,4-trimethyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN,N,4-trimethyl-1,4-diazepane-1-sulfonamide
PubChem CID59786715
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN,N,4-trimethyl-1,4-diazepane-1-sulfonamide
SMILESCN1CCCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C8H19N3O2S/c1-9(2)14(12,13)11-6-4-5-10(3)7-8-11/h4-8H2,1-3H3
InChIKeyUFWYZGAGOXZFAD-UHFFFAOYSA-N
XLogP-0.57
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1,4]Diazepane-1,4-disulfonic acid bis-dimethylamide
CID 652757
N,4-dimethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
CID 45822279
4-Methyl-1,4-diazepane-1-sulfinate
CID 19012168
1-Methyl-4-methylsulfonyl-1,4-diazepane
CID 23594880
1-Methylsulfonyl-4-propyl-1,4-diazepane
CID 47038873
1-Methylsulfonyl-4-propan-2-yl-1,4-diazepane
CID 58110269
1-Ethyl-4-methylsulfonyl-1,4-diazepane
CID 60395192
1-(2-Methylpropyl)-4-methylsulfonyl-1,4-diazepane
CID 60501762
1-(2,2-Dimethylpropyl)-4-methylsulfonyl-1,4-diazepane
CID 68062128
1-Methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 91369347
Ethane;1-methyl-4-methylsulfonyl-1,4-diazepane
CID 144205214
Ethane;1-methyl-4-sulfanyl-1,4-diazepane
CID 144473581

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of N,N,4-trimethyl-1,4-diazepane-1-sulfonamide (CID 59786715) is N,N,4-trimethyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N,N,4-trimethyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N,N,4-trimethyl-1,4-diazepane-1-sulfonamide is CN1CCCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N,4-trimethyl-1,4-diazepane-1-sulfonamide?
The InChIKey is UFWYZGAGOXZFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-9(2)14(12,13)11-6-4-5-10(3)7-8-11/h4-8H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1,4-diazepane-1-sulfonamide?
N,N,4-trimethyl-1,4-diazepane-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 59786715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).