N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide

C12H27N3O2S — CID 71199229

IUPACN-butyl-4-methyl-N-propylpiperazine-1-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-6-8-14(7-5-2)18(16,17)15-11-9-13(3)10-12-15/h4-12H2,1-3H3
InChIKeyICBGERWEBYPHKS-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.99
Rot. Bonds7

About N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide

N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide (PubChem CID 71199229) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-4-methyl-N-propylpiperazine-1-sulfonamide
PubChem CID71199229
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-butyl-4-methyl-N-propylpiperazine-1-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C12H27N3O2S/c1-4-6-8-14(7-5-2)18(16,17)15-11-9-13(3)10-12-15/h4-12H2,1-3H3
InChIKeyICBGERWEBYPHKS-UHFFFAOYSA-N
XLogP0.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide?
The IUPAC name of N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide (CID 71199229) is N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide.
What is the SMILES notation for N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide?
The canonical SMILES for N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide is CCCCN(CCC)S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide?
The InChIKey is ICBGERWEBYPHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-6-8-14(7-5-2)18(16,17)15-11-9-13(3)10-12-15/h4-12H2,1-3H3.
What are the key properties of N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide?
N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide is sourced from PubChem (CID 71199229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).