N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide

C10H23N3O3S — CID 54946918

IUPACN-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C10H23N3O3S/c1-10(9-16-3)12(2)17(14,15)13-7-4-5-11-6-8-13/h10-11H,4-9H2,1-3H3
InChIKeyPGEIEJCCJVLDLI-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.51
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide

N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide (PubChem CID 54946918) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide
PubChem CID54946918
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C10H23N3O3S/c1-10(9-16-3)12(2)17(14,15)13-7-4-5-11-6-8-13/h10-11H,4-9H2,1-3H3
InChIKeyPGEIEJCCJVLDLI-UHFFFAOYSA-N
XLogP-0.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide (CID 54946918) is N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide is COCC(C)N(C)S(=O)(=O)N1CCCNCC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide?
The InChIKey is PGEIEJCCJVLDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(9-16-3)12(2)17(14,15)13-7-4-5-11-6-8-13/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide?
N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 54946918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).