N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide

C10H20N2O3S — CID 155901959

IUPACN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C10H20N2O3S/c1-16(13,14)11-9-7-15-8-10(9)12-5-3-2-4-6-12/h9-11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyHBAJESVWWKEYCP-UWVGGRQHSA-N
MW248.35 g/mol
LogP-0.21
Rot. Bonds3

About N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide

N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide (PubChem CID 155901959) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide
PubChem CID155901959
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C10H20N2O3S/c1-16(13,14)11-9-7-15-8-10(9)12-5-3-2-4-6-12/h9-11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyHBAJESVWWKEYCP-UWVGGRQHSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide (CID 155901959) is N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1COC[C@@H]1N1CCCCC1.
What is the InChIKey of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide?
The InChIKey is HBAJESVWWKEYCP-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-16(13,14)11-9-7-15-8-10(9)12-5-3-2-4-6-12/h9-11H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide?
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 155901959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).