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

C11H25N3O4S — CID 61418777

IUPACN,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H25N3O4S/c1-17-10-8-14(9-11-18-2)19(15,16)13-6-3-4-12-5-7-13/h12H,3-11H2,1-2H3
InChIKeyFKOZQRNGNDXKLR-UHFFFAOYSA-N
MW295.40 g/mol
LogP-0.88
Rot. Bonds8

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

N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide (PubChem CID 61418777) has the molecular formula C11H25N3O4S and a molecular weight of 295.40 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide
PubChem CID61418777
Molecular FormulaC11H25N3O4S
Molecular Weight295.40 g/mol
Exact Mass295.16
IUPAC NameN,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H25N3O4S/c1-17-10-8-14(9-11-18-2)19(15,16)13-6-3-4-12-5-7-13/h12H,3-11H2,1-2H3
InChIKeyFKOZQRNGNDXKLR-UHFFFAOYSA-N
XLogP-0.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyethyl)-1,4-diazepane
CID 19019833
1-(4-Morpholinylsulfonyl)-1,4-diazepane
CID 11118448
4-((1,4-Diazepan-1-yl)sulfonyl)morpholine HCl
CID 22707010
Ethane;1-(2-methoxyethyl)-1,4-diazepane
CID 162375776
(2S,6R)-4-(1,4-diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine
CID 28746660
4-(1,4-Diazepan-1-ylsulfonyl)-2,6-dimethylmorpholine
CID 43209462
4-(1,4-Diazepan-1-ylsulfonyl)-2-methylmorpholine
CID 43209464
4-(1,4-Diazepan-1-ylsulfonyl)-3-methylmorpholine
CID 43542309
4-(1,4-Diazepan-1-ylsulfonyl)-2-ethylmorpholine
CID 43562852
4-(1,4-Diazepan-1-ylsulfonyl)-2,2-dimethylmorpholine
CID 43592992
4-(1,4-Diazepan-1-ylsulfonyl)-3-ethylmorpholine
CID 43613384
N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide
CID 54946918

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide (CID 61418777) is N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide is COCCN(CCOC)S(=O)(=O)N1CCCNCC1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide?
The InChIKey is FKOZQRNGNDXKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O4S/c1-17-10-8-14(9-11-18-2)19(15,16)13-6-3-4-12-5-7-13/h12H,3-11H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide?
N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide has a molecular weight of 295.40 g/mol, XLogP of -0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 61418777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).