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

C9H21N3O2S — CID 43210877

IUPACN-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCCN)C1
InChIInChI=1S/C9H21N3O2S/c1-9-4-2-7-12(8-9)15(13,14)11-6-3-5-10/h9,11H,2-8,10H2,1H3
InChIKeyGATXBPRMZWFZPV-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.10
Rot. Bonds5

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

N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 43210877) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide
PubChem CID43210877
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCCN)C1
InChIInChI=1S/C9H21N3O2S/c1-9-4-2-7-12(8-9)15(13,14)11-6-3-5-10/h9,11H,2-8,10H2,1H3
InChIKeyGATXBPRMZWFZPV-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide (CID 43210877) is N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCCCN)C1.
What is the InChIKey of N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is GATXBPRMZWFZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-9-4-2-7-12(8-9)15(13,14)11-6-3-5-10/h9,11H,2-8,10H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide?
N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43210877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).