2-methyl-1,4-diazepane-1-sulfonamide

C6H15N3O2S — CID 130848433

IUPAC2-methyl-1,4-diazepane-1-sulfonamide
SMILESCC1CNCCCN1S(N)(=O)=O
InChIInChI=1S/C6H15N3O2S/c1-6-5-8-3-2-4-9(6)12(7,10)11/h6,8H,2-5H2,1H3,(H2,7,10,11)
InChIKeyRUQDOIJXMKUUAE-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.13
Rot. Bonds1

About 2-methyl-1,4-diazepane-1-sulfonamide

2-methyl-1,4-diazepane-1-sulfonamide (PubChem CID 130848433) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-methyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-1,4-diazepane-1-sulfonamide
PubChem CID130848433
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name2-methyl-1,4-diazepane-1-sulfonamide
SMILESCC1CNCCCN1S(N)(=O)=O
InChIInChI=1S/C6H15N3O2S/c1-6-5-8-3-2-4-9(6)12(7,10)11/h6,8H,2-5H2,1H3,(H2,7,10,11)
InChIKeyRUQDOIJXMKUUAE-UHFFFAOYSA-N
XLogP-1.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of 2-methyl-1,4-diazepane-1-sulfonamide (CID 130848433) is 2-methyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for 2-methyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for 2-methyl-1,4-diazepane-1-sulfonamide is CC1CNCCCN1S(N)(=O)=O.
What is the InChIKey of 2-methyl-1,4-diazepane-1-sulfonamide?
The InChIKey is RUQDOIJXMKUUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-6-5-8-3-2-4-9(6)12(7,10)11/h6,8H,2-5H2,1H3,(H2,7,10,11).
What are the key properties of 2-methyl-1,4-diazepane-1-sulfonamide?
2-methyl-1,4-diazepane-1-sulfonamide has a molecular weight of 193.27 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 130848433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).