2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid

C9H18N2O4S — CID 114503113

IUPAC2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid
SMILESCC1CN(C)CCC1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H18N2O4S/c1-7-5-11(2)4-3-8(7)10-16(14,15)6-9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyKHGUZMVNKDFJNS-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.67
Rot. Bonds4

About 2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid

2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid (PubChem CID 114503113) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid
PubChem CID114503113
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid
SMILESCC1CN(C)CCC1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C9H18N2O4S/c1-7-5-11(2)4-3-8(7)10-16(14,15)6-9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyKHGUZMVNKDFJNS-UHFFFAOYSA-N
XLogP-0.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
CID 114503363
3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
CID 106083082
4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid
CID 114503544
4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
3-[(1,3-dimethylpiperidin-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 114505374
5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 114503116
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
1-[3-(aminomethyl)phenyl]-N-(1,3-dimethylpiperidin-4-yl)methanesulfonamide
CID 114503359
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide
CID 115649947
ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 115649950
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
N-(1,3-dimethylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 115598650

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid (CID 114503113) is 2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid is CC1CN(C)CCC1NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid?
The InChIKey is KHGUZMVNKDFJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7-5-11(2)4-3-8(7)10-16(14,15)6-9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid?
2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid has a molecular weight of 250.32 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 114503113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).