N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide

C12H27N3O3S — CID 54986701

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C12H27N3O3S/c1-12(2)11-15(9-10-18-3)19(16,17)14-7-4-5-13-6-8-14/h12-13H,4-11H2,1-3H3
InChIKeyVUYZUKJZNRCLPX-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.13
Rot. Bonds7

About N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide

N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide (PubChem CID 54986701) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide
PubChem CID54986701
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C12H27N3O3S/c1-12(2)11-15(9-10-18-3)19(16,17)14-7-4-5-13-6-8-14/h12-13H,4-11H2,1-3H3
InChIKeyVUYZUKJZNRCLPX-UHFFFAOYSA-N
XLogP0.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
CID 61252200
2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54969399
N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
N-ethyl-N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide
CID 61251786
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 62837072
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 55173259
N,N-bis(2-methoxyethyl)-2-methylpiperazine-1-sulfonamide
CID 119970143
N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
CID 120999320
N-[2-[2-methoxyethyl(methyl)amino]ethyl]piperazine-1-sulfonamide
CID 55126821
N-ethyl-N-(2-ethylbutyl)piperazine-1-sulfonamide
CID 61252000
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-piperazin-1-ylacetamide
CID 54944353
2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide (CID 54986701) is N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide is COCCN(CC(C)C)S(=O)(=O)N1CCCNCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide?
The InChIKey is VUYZUKJZNRCLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-12(2)11-15(9-10-18-3)19(16,17)14-7-4-5-13-6-8-14/h12-13H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of 0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 54986701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).