N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide

C19H30FN3O3S — CID 97274416

IUPACN-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide
SMILESCN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H30FN3O3S/c1-21(27(24,25)23-11-13-26-14-12-23)15-18-3-2-9-22(16-18)10-8-17-4-6-19(20)7-5-17/h4-7,18H,2-3,8-16H2,1H3/t18-/m0/s1
InChIKeyKUQSXWQAASVYJW-SFHVURJKSA-N
MW399.53 g/mol
LogP1.59
Rot. Bonds7

About N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide

N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide (PubChem CID 97274416) has the molecular formula C19H30FN3O3S and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide
PubChem CID97274416
Molecular FormulaC19H30FN3O3S
Molecular Weight399.53 g/mol
Exact Mass399.20
IUPAC NameN-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide
SMILESCN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H30FN3O3S/c1-21(27(24,25)23-11-13-26-14-12-23)15-18-3-2-9-22(16-18)10-8-17-4-6-19(20)7-5-17/h4-7,18H,2-3,8-16H2,1H3/t18-/m0/s1
InChIKeyKUQSXWQAASVYJW-SFHVURJKSA-N
XLogP1.59
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide?
The IUPAC name of N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide (CID 97274416) is N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide?
The canonical SMILES for N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide is CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide?
The InChIKey is KUQSXWQAASVYJW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30FN3O3S/c1-21(27(24,25)23-11-13-26-14-12-23)15-18-3-2-9-22(16-18)10-8-17-4-6-19(20)7-5-17/h4-7,18H,2-3,8-16H2,1H3/t18-/m0/s1.
What are the key properties of N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide?
N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide has a molecular weight of 399.53 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylmorpholine-4-sulfonamide is sourced from PubChem (CID 97274416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).