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

C11H23N3O3S — CID 54946919

IUPACN-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H23N3O3S/c1-17-10-9-14(11-3-4-11)18(15,16)13-7-2-5-12-6-8-13/h11-12H,2-10H2,1H3
InChIKeyIICHANCCCONRAO-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.36
Rot. Bonds6

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

N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide (PubChem CID 54946919) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide
PubChem CID54946919
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H23N3O3S/c1-17-10-9-14(11-3-4-11)18(15,16)13-7-2-5-12-6-8-13/h11-12H,2-10H2,1H3
InChIKeyIICHANCCCONRAO-UHFFFAOYSA-N
XLogP-0.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide (CID 54946919) is N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide is COCCN(C1CC1)S(=O)(=O)N1CCCNCC1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide?
The InChIKey is IICHANCCCONRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-17-10-9-14(11-3-4-11)18(15,16)13-7-2-5-12-6-8-13/h11-12H,2-10H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide?
N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 54946919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).