2-amino-N,N-diethylazepane-1-sulfonamide

C10H23N3O2S — CID 64560720

IUPAC2-amino-N,N-diethylazepane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCCCC1N
InChIInChI=1S/C10H23N3O2S/c1-3-12(4-2)16(14,15)13-9-7-5-6-8-10(13)11/h10H,3-9,11H2,1-2H3
InChIKeyUHOSXLIYRWIJIM-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.73
Rot. Bonds4

About 2-amino-N,N-diethylazepane-1-sulfonamide

2-amino-N,N-diethylazepane-1-sulfonamide (PubChem CID 64560720) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-amino-N,N-diethylazepane-1-sulfonamide.

Molecular Properties

Compound Name2-amino-N,N-diethylazepane-1-sulfonamide
PubChem CID64560720
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name2-amino-N,N-diethylazepane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCCCC1N
InChIInChI=1S/C10H23N3O2S/c1-3-12(4-2)16(14,15)13-9-7-5-6-8-10(13)11/h10H,3-9,11H2,1-2H3
InChIKeyUHOSXLIYRWIJIM-UHFFFAOYSA-N
XLogP0.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonylazepan-2-amine
CID 64560545
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
1-(cyclopropylmethylsulfonyl)piperidin-2-amine
CID 64987724
methyl 2-[1-(diethylsulfamoyl)piperidin-2-yl]acetate
CID 54899577
2-(aminomethyl)-N,N-diethyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119984924
1-(3-methylbutylsulfonyl)azepan-2-amine
CID 64560531
N,N-diethyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-sulfonamide
CID 87008652
3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992516
1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857926
(2R)-N-cyclopropyl-1-(diethylsulfamoyl)pyrrolidine-2-carboxamide
CID 35611405
(2R)-N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-sulfonamide
CID 94061295
1-methylsulfonylpyrrolidin-2-amine;hydrochloride
CID 66846501

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethylazepane-1-sulfonamide?
The IUPAC name of 2-amino-N,N-diethylazepane-1-sulfonamide (CID 64560720) is 2-amino-N,N-diethylazepane-1-sulfonamide.
What is the SMILES notation for 2-amino-N,N-diethylazepane-1-sulfonamide?
The canonical SMILES for 2-amino-N,N-diethylazepane-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCCCC1N.
What is the InChIKey of 2-amino-N,N-diethylazepane-1-sulfonamide?
The InChIKey is UHOSXLIYRWIJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-3-12(4-2)16(14,15)13-9-7-5-6-8-10(13)11/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-amino-N,N-diethylazepane-1-sulfonamide?
2-amino-N,N-diethylazepane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethylazepane-1-sulfonamide is sourced from PubChem (CID 64560720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).