4-amino-N-piperidin-1-ylbutane-1-sulfonamide

C9H21N3O2S — CID 83014122

IUPAC4-amino-N-piperidin-1-ylbutane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NN1CCCCC1
InChIInChI=1S/C9H21N3O2S/c10-6-2-5-9-15(13,14)11-12-7-3-1-4-8-12/h11H,1-10H2
InChIKeyDZORJIZBIVDVNW-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.05
Rot. Bonds6

About 4-amino-N-piperidin-1-ylbutane-1-sulfonamide

4-amino-N-piperidin-1-ylbutane-1-sulfonamide (PubChem CID 83014122) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-amino-N-piperidin-1-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-piperidin-1-ylbutane-1-sulfonamide
PubChem CID83014122
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name4-amino-N-piperidin-1-ylbutane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NN1CCCCC1
InChIInChI=1S/C9H21N3O2S/c10-6-2-5-9-15(13,14)11-12-7-3-1-4-8-12/h11H,1-10H2
InChIKeyDZORJIZBIVDVNW-UHFFFAOYSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.05
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

4-chloro-N-piperidin-1-ylbutane-1-sulfonamide
CID 116816437
N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114141871
4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736
2-(4-aminophenyl)sulfanyl-N-piperidin-1-ylethanesulfonamide
CID 83012669
2-(2-aminophenoxy)-N-piperidin-1-ylethanesulfonamide
CID 83012594
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
4-amino-N-[(1-methylcyclopentyl)methyl]butane-1-sulfonamide
CID 63829224
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide
CID 106075419
4-amino-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 114142631
2-(azepan-1-ylsulfonyl)ethanamine
CID 22692377
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-piperidin-1-ylbutane-1-sulfonamide?
The IUPAC name of 4-amino-N-piperidin-1-ylbutane-1-sulfonamide (CID 83014122) is 4-amino-N-piperidin-1-ylbutane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-piperidin-1-ylbutane-1-sulfonamide?
The canonical SMILES for 4-amino-N-piperidin-1-ylbutane-1-sulfonamide is NCCCCS(=O)(=O)NN1CCCCC1.
What is the InChIKey of 4-amino-N-piperidin-1-ylbutane-1-sulfonamide?
The InChIKey is DZORJIZBIVDVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c10-6-2-5-9-15(13,14)11-12-7-3-1-4-8-12/h11H,1-10H2.
What are the key properties of 4-amino-N-piperidin-1-ylbutane-1-sulfonamide?
4-amino-N-piperidin-1-ylbutane-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-piperidin-1-ylbutane-1-sulfonamide is sourced from PubChem (CID 83014122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).