acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine

C13H27N3O4S — CID 70550668

IUPACacetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine
SMILESCC(=O)O.CN(CCC1CCNCC1)S(=O)(=O)NC1CC1
InChIInChI=1S/C11H23N3O2S.C2H4O2/c1-14(17(15,16)13-11-2-3-11)9-6-10-4-7-12-8-5-10;1-2(3)4/h10-13H,2-9H2,1H3;1H3,(H,3,4)
InChIKeyWQFWHIAITHRRRE-UHFFFAOYSA-N
MW321.44 g/mol
LogP0.40
Rot. Bonds6

About acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine

acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine (PubChem CID 70550668) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine.

Molecular Properties

Compound Nameacetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine
PubChem CID70550668
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Nameacetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine
SMILESCC(=O)O.CN(CCC1CCNCC1)S(=O)(=O)NC1CC1
InChIInChI=1S/C11H23N3O2S.C2H4O2/c1-14(17(15,16)13-11-2-3-11)9-6-10-4-7-12-8-5-10;1-2(3)4/h10-13H,2-9H2,1H3;1H3,(H,3,4)
InChIKeyWQFWHIAITHRRRE-UHFFFAOYSA-N
XLogP0.40
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine?
The IUPAC name of acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine (CID 70550668) is acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine.
What is the SMILES notation for acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine?
The canonical SMILES for acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine is CC(=O)O.CN(CCC1CCNCC1)S(=O)(=O)NC1CC1.
What is the InChIKey of acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine?
The InChIKey is WQFWHIAITHRRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S.C2H4O2/c1-14(17(15,16)13-11-2-3-11)9-6-10-4-7-12-8-5-10;1-2(3)4/h10-13H,2-9H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine?
acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine has a molecular weight of 321.44 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[2-[cyclopropylsulfamoyl(methyl)amino]ethyl]piperidine is sourced from PubChem (CID 70550668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).