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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Related Compounds

1-butylsulfonyl-2-methyl-1,4-diazepane
CID 82243284
2-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 62671714
2-methylazetidine-1-sulfonamide
CID 145368138
2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride
CID 119969723
N-tert-butyl-2-methylpiperazine-1-sulfonamide
CID 114810673
(2R)-2-methyl-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazine
CID 124598606
(2R)-2-methyl-1-(2-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 162393948
2-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119970141
2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
CID 82842565
4-methyl-1-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
CID 166746140
2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride
CID 119969720
2-(2-methylpiperazin-1-yl)ethanesulfonamide
CID 114385448

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).