N-(1-methylpiperidin-4-yl)butane-1-sulfonamide

C10H22N2O2S — CID 22772547

IUPACN-(1-methylpiperidin-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C10H22N2O2S/c1-3-4-9-15(13,14)11-10-5-7-12(2)8-6-10/h10-11H,3-9H2,1-2H3
InChIKeyHIQFNDKIHYEKLB-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)butane-1-sulfonamide

N-(1-methylpiperidin-4-yl)butane-1-sulfonamide (PubChem CID 22772547) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)butane-1-sulfonamide
PubChem CID22772547
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(1-methylpiperidin-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C10H22N2O2S/c1-3-4-9-15(13,14)11-10-5-7-12(2)8-6-10/h10-11H,3-9H2,1-2H3
InChIKeyHIQFNDKIHYEKLB-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)butane-1-sulfonamide (CID 22772547) is N-(1-methylpiperidin-4-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(C)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)butane-1-sulfonamide?
The InChIKey is HIQFNDKIHYEKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-4-9-15(13,14)11-10-5-7-12(2)8-6-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-4-yl)butane-1-sulfonamide?
N-(1-methylpiperidin-4-yl)butane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 22772547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).