N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide

C10H23N3O3S — CID 54951889

IUPACN-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H23N3O3S/c1-12(6-3-5-11)17(15,16)13-7-2-4-10(8-13)9-14/h10,14H,2-9,11H2,1H3
InChIKeyWAYHSBAWWVIJNN-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.78
Rot. Bonds6

About N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide

N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide (PubChem CID 54951889) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
PubChem CID54951889
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H23N3O3S/c1-12(6-3-5-11)17(15,16)13-7-2-4-10(8-13)9-14/h10,14H,2-9,11H2,1H3
InChIKeyWAYHSBAWWVIJNN-UHFFFAOYSA-N
XLogP-0.78
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide
CID 114238612
N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide
CID 62973769
N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 112624880
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 79312053
3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119959504
N-(3-aminopropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79932436
N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
CID 116634407
N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide
CID 61456581
N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 103495211
(4aR,8aR)-N-(3-aminopropyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
CID 102726076
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide (CID 54951889) is N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide is CN(CCCN)S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
The InChIKey is WAYHSBAWWVIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-12(6-3-5-11)17(15,16)13-7-2-4-10(8-13)9-14/h10,14H,2-9,11H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 54951889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).