3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide

C14H29N3O3S — CID 106054051

IUPAC3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
SMILESCOCCCCNS(=O)(=O)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-20-10-3-2-8-16-21(18,19)17-9-4-5-13(12-17)11-15-14-6-7-14/h13-16H,2-12H2,1H3
InChIKeyGTFOONPQSQTRMH-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.71
Rot. Bonds10

About 3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide

3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide (PubChem CID 106054051) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
PubChem CID106054051
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
SMILESCOCCCCNS(=O)(=O)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-20-10-3-2-8-16-21(18,19)17-9-4-5-13(12-17)11-15-14-6-7-14/h13-16H,2-12H2,1H3
InChIKeyGTFOONPQSQTRMH-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106091198
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
propan-2-yl N-[3-[(cyclopropylamino)methyl]piperidin-1-yl]sulfonylcarbamate
CID 114467189
N-(2-cyclopentyloxyethyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064564
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63880154
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide (CID 106054051) is 3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide is COCCCCNS(=O)(=O)N1CCCC(CNC2CC2)C1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide?
The InChIKey is GTFOONPQSQTRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-20-10-3-2-8-16-21(18,19)17-9-4-5-13(12-17)11-15-14-6-7-14/h13-16H,2-12H2,1H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide?
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106054051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).