N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide

C12H23N3O3S — CID 138006908

IUPACN-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide
SMILESNC1CC(NS(=O)(=O)N2CCCOCC2)C12CCC2
InChIInChI=1S/C12H23N3O3S/c13-10-9-11(12(10)3-1-4-12)14-19(16,17)15-5-2-7-18-8-6-15/h10-11,14H,1-9,13H2
InChIKeyLDVFRZPFXXHSIA-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.19
Rot. Bonds3

About N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide

N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide (PubChem CID 138006908) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide
PubChem CID138006908
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide
SMILESNC1CC(NS(=O)(=O)N2CCCOCC2)C12CCC2
InChIInChI=1S/C12H23N3O3S/c13-10-9-11(12(10)3-1-4-12)14-19(16,17)15-5-2-7-18-8-6-15/h10-11,14H,1-9,13H2
InChIKeyLDVFRZPFXXHSIA-UHFFFAOYSA-N
XLogP-0.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)morpholine-4-sulfonamide
CID 79711435
1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165451
N-(2-aminocycloheptyl)morpholine-4-sulfonamide
CID 63258708
N-[(1R,3R)-3-aminocyclopentyl]morpholine-4-sulfonamide;hydrochloride
CID 154887134
N-(3-hydroxy-3-methylcyclobutyl)morpholine-4-sulfonamide
CID 138045268
N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide
CID 154787104
N-(1,4-dioxaspiro[4.5]decan-8-yl)morpholine-4-sulfonamide
CID 47319516
N-bromomorpholine-4-sulfonamide
CID 117126249
N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidine-1-sulfonamide
CID 114631638
N-pyrrolidin-2-ylmorpholine-4-sulfonamide
CID 117126254
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide
CID 28940608

Frequently Asked Questions

What is the IUPAC name of N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide?
The IUPAC name of N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide (CID 138006908) is N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide.
What is the SMILES notation for N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide?
The canonical SMILES for N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide is NC1CC(NS(=O)(=O)N2CCCOCC2)C12CCC2.
What is the InChIKey of N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide?
The InChIKey is LDVFRZPFXXHSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c13-10-9-11(12(10)3-1-4-12)14-19(16,17)15-5-2-7-18-8-6-15/h10-11,14H,1-9,13H2.
What are the key properties of N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide?
N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminospiro[3.3]heptan-3-yl)-1,4-oxazepane-4-sulfonamide is sourced from PubChem (CID 138006908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).