1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid

C12H24N4O4S — CID 61403789

IUPAC1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCCN2CCNCC2)C1
InChIInChI=1S/C12H24N4O4S/c17-12(18)11-2-1-6-16(10-11)21(19,20)14-5-9-15-7-3-13-4-8-15/h11,13-14H,1-10H2,(H,17,18)
InChIKeyMVCZAPGRPBZYIP-UHFFFAOYSA-N
MW320.42 g/mol
LogP-1.48
Rot. Bonds6

About 1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid

1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 61403789) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID61403789
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCCN2CCNCC2)C1
InChIInChI=1S/C12H24N4O4S/c17-12(18)11-2-1-6-16(10-11)21(19,20)14-5-9-15-7-3-13-4-8-15/h11,13-14H,1-10H2,(H,17,18)
InChIKeyMVCZAPGRPBZYIP-UHFFFAOYSA-N
XLogP-1.48
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61408074
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573
1-(3-butoxypropylsulfamoyl)piperidine-3-carboxylic acid
CID 115596236
1-(2-prop-2-ynylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 114187438
4-methyl-N-(2-piperazin-1-ylethyl)piperidine-1-sulfonamide;dihydrochloride
CID 119966686

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid (CID 61403789) is 1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCCN2CCNCC2)C1.
What is the InChIKey of 1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is MVCZAPGRPBZYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O4S/c17-12(18)11-2-1-6-16(10-11)21(19,20)14-5-9-15-7-3-13-4-8-15/h11,13-14H,1-10H2,(H,17,18).
What are the key properties of 1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid?
1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 320.42 g/mol, XLogP of -1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 61403789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).