4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid

C14H19ClN2O4S — CID 174678128

IUPAC4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O4S/c15-13-3-1-12(2-4-13)10-22(20,21)16-9-11-5-7-17(8-6-11)14(18)19/h1-4,11,16H,5-10H2,(H,18,19)
InChIKeyGVSBXUUSNFZHKZ-UHFFFAOYSA-N
MW346.84 g/mol
LogP2.15
Rot. Bonds5

About 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid

4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid (PubChem CID 174678128) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid
PubChem CID174678128
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O4S/c15-13-3-1-12(2-4-13)10-22(20,21)16-9-11-5-7-17(8-6-11)14(18)19/h1-4,11,16H,5-10H2,(H,18,19)
InChIKeyGVSBXUUSNFZHKZ-UHFFFAOYSA-N
XLogP2.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
CID 67084616
1-(4-chlorophenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413832
methyl 4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71786831
1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110640715
tert-butyl 4-[[(3-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71630261
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
tert-butyl (2R)-2-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 97173543
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid (CID 174678128) is 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid?
The InChIKey is GVSBXUUSNFZHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c15-13-3-1-12(2-4-13)10-22(20,21)16-9-11-5-7-17(8-6-11)14(18)19/h1-4,11,16H,5-10H2,(H,18,19).
What are the key properties of 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid?
4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid has a molecular weight of 346.84 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174678128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).