N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide

C13H21N3O2S — CID 110707722

IUPACN,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)C)CCN1c1ccccc1
InChIInChI=1S/C13H21N3O2S/c1-12-11-15(19(17,18)14(2)3)9-10-16(12)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyXEHIEJPEWLUXLE-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.00
Rot. Bonds3

About N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide

N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide (PubChem CID 110707722) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide
PubChem CID110707722
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)C)CCN1c1ccccc1
InChIInChI=1S/C13H21N3O2S/c1-12-11-15(19(17,18)14(2)3)9-10-16(12)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyXEHIEJPEWLUXLE-UHFFFAOYSA-N
XLogP1.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide?
The IUPAC name of N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide (CID 110707722) is N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide?
The canonical SMILES for N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide is CC1CN(S(=O)(=O)N(C)C)CCN1c1ccccc1.
What is the InChIKey of N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide?
The InChIKey is XEHIEJPEWLUXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-12-11-15(19(17,18)14(2)3)9-10-16(12)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3.
What are the key properties of N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide?
N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 110707722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).