N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide

C11H25N3O3S — CID 116634407

IUPACN-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCCCCC1CO
InChIInChI=1S/C11H25N3O3S/c1-13(8-5-7-12)18(16,17)14-9-4-2-3-6-11(14)10-15/h11,15H,2-10,12H2,1H3
InChIKeyWICLSIDLHULDPG-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.25
Rot. Bonds6

About N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide

N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide (PubChem CID 116634407) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
PubChem CID116634407
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCCCCC1CO
InChIInChI=1S/C11H25N3O3S/c1-13(8-5-7-12)18(16,17)14-9-4-2-3-6-11(14)10-15/h11,15H,2-10,12H2,1H3
InChIKeyWICLSIDLHULDPG-UHFFFAOYSA-N
XLogP-0.25
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4aR,8aR)-N-(3-aminopropyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
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N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
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1-[3-aminopropyl(methyl)sulfamoyl]-N-methylpyrrolidine-2-carboxamide
CID 54986272
N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61408756
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889
methyl 3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 103834182
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide
CID 83045047
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 112667005
N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79932436

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide (CID 116634407) is N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide is CN(CCCN)S(=O)(=O)N1CCCCCC1CO.
What is the InChIKey of N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide?
The InChIKey is WICLSIDLHULDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-13(8-5-7-12)18(16,17)14-9-4-2-3-6-11(14)10-15/h11,15H,2-10,12H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide?
N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide is sourced from PubChem (CID 116634407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).