N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide

C10H22N2O3S — CID 102699220

IUPACN-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCOC(C)CNS(=O)(=O)CC1CCCCN1
InChIInChI=1S/C10H22N2O3S/c1-9(15-2)7-12-16(13,14)8-10-5-3-4-6-11-10/h9-12H,3-8H2,1-2H3
InChIKeyISIHCUXLPRMTAA-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.08
Rot. Bonds6

About N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide

N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 102699220) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID102699220
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCOC(C)CNS(=O)(=O)CC1CCCCN1
InChIInChI=1S/C10H22N2O3S/c1-9(15-2)7-12-16(13,14)8-10-5-3-4-6-11-10/h9-12H,3-8H2,1-2H3
InChIKeyISIHCUXLPRMTAA-UHFFFAOYSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide (CID 102699220) is N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide is COC(C)CNS(=O)(=O)CC1CCCCN1.
What is the InChIKey of N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is ISIHCUXLPRMTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(15-2)7-12-16(13,14)8-10-5-3-4-6-11-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide?
N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 102699220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).