N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide

C11H24N2O2S — CID 95331031

IUPACN-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@H]1CCCN(C)C1
InChIInChI=1S/C11H24N2O2S/c1-3-4-8-16(14,15)12-9-11-6-5-7-13(2)10-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyHUBPSRIJBXHPLR-LLVKDONJSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds6

About N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide

N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide (PubChem CID 95331031) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide
PubChem CID95331031
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@H]1CCCN(C)C1
InChIInChI=1S/C11H24N2O2S/c1-3-4-8-16(14,15)12-9-11-6-5-7-13(2)10-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyHUBPSRIJBXHPLR-LLVKDONJSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide (CID 95331031) is N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC[C@H]1CCCN(C)C1.
What is the InChIKey of N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide?
The InChIKey is HUBPSRIJBXHPLR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-4-8-16(14,15)12-9-11-6-5-7-13(2)10-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide?
N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-methylpiperidin-3-yl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 95331031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).