N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide

C9H18N2O3S — CID 59268308

IUPACN-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide
SMILESCC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-8(12)11-5-3-4-9(7-11)6-10-15(2,13)14/h9-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyCCRQXLDMMWNHIR-SECBINFHSA-N
MW234.32 g/mol
LogP-0.21
Rot. Bonds3

About N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide

N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide (PubChem CID 59268308) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide
PubChem CID59268308
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide
SMILESCC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-8(12)11-5-3-4-9(7-11)6-10-15(2,13)14/h9-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyCCRQXLDMMWNHIR-SECBINFHSA-N
XLogP-0.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide (CID 59268308) is N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide is CC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is CCRQXLDMMWNHIR-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-8(12)11-5-3-4-9(7-11)6-10-15(2,13)14/h9-10H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-acetylpiperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 59268308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).