N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide

C12H23N3O2S — CID 154787104

IUPACN-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide
SMILESNC1CC12CC(NS(=O)(=O)N1CCCCCC1)C2
InChIInChI=1S/C12H23N3O2S/c13-11-9-12(11)7-10(8-12)14-18(16,17)15-5-3-1-2-4-6-15/h10-11,14H,1-9,13H2
InChIKeyKQVWUFIFTRBPAN-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.58
Rot. Bonds3

About N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide

N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide (PubChem CID 154787104) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide
PubChem CID154787104
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide
SMILESNC1CC12CC(NS(=O)(=O)N1CCCCCC1)C2
InChIInChI=1S/C12H23N3O2S/c13-11-9-12(11)7-10(8-12)14-18(16,17)15-5-3-1-2-4-6-15/h10-11,14H,1-9,13H2
InChIKeyKQVWUFIFTRBPAN-UHFFFAOYSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclobutyl)piperidine-1-sulfonamide
CID 43597759
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride
CID 119966821
N-[4-(ethylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653572
N-[(3S)-piperidin-3-yl]piperidine-1-sulfonamide;hydrochloride
CID 120716711
3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63042575
N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide
CID 106995874
N-(6-oxopiperidin-3-yl)azepane-1-sulfonamide
CID 55244528
N-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidine-1-sulfonamide
CID 114631638
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637

Frequently Asked Questions

What is the IUPAC name of N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide?
The IUPAC name of N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide (CID 154787104) is N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide is NC1CC12CC(NS(=O)(=O)N1CCCCCC1)C2.
What is the InChIKey of N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide?
The InChIKey is KQVWUFIFTRBPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c13-11-9-12(11)7-10(8-12)14-18(16,17)15-5-3-1-2-4-6-15/h10-11,14H,1-9,13H2.
What are the key properties of N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide?
N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminospiro[2.3]hexan-5-yl)azepane-1-sulfonamide is sourced from PubChem (CID 154787104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).