N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride

C10H21ClN2O2S — CID 120723171

IUPACN-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride
SMILESC=CCCS(=O)(=O)NC1CNCCC1C.Cl
InChIInChI=1S/C10H20N2O2S.ClH/c1-3-4-7-15(13,14)12-10-8-11-6-5-9(10)2;/h3,9-12H,1,4-8H2,2H3;1H
InChIKeyHHMPZRLXMTTXAH-UHFFFAOYSA-N
MW268.81 g/mol
LogP0.90
Rot. Bonds5

About N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride

N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride (PubChem CID 120723171) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride
PubChem CID120723171
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC NameN-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride
SMILESC=CCCS(=O)(=O)NC1CNCCC1C.Cl
InChIInChI=1S/C10H20N2O2S.ClH/c1-3-4-7-15(13,14)12-10-8-11-6-5-9(10)2;/h3,9-12H,1,4-8H2,2H3;1H
InChIKeyHHMPZRLXMTTXAH-UHFFFAOYSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride?
The IUPAC name of N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride (CID 120723171) is N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride is C=CCCS(=O)(=O)NC1CNCCC1C.Cl.
What is the InChIKey of N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride?
The InChIKey is HHMPZRLXMTTXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S.ClH/c1-3-4-7-15(13,14)12-10-8-11-6-5-9(10)2;/h3,9-12H,1,4-8H2,2H3;1H.
What are the key properties of N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride?
N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride has a molecular weight of 268.81 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120723171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).