N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide

C11H25N3O2S — CID 63873091

IUPACN-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C11H25N3O2S/c1-5-6-7-13(4)17(15,16)14-8-10(2)12-11(3)9-14/h10-12H,5-9H2,1-4H3
InChIKeyBJDNLEZGUBZULV-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.65
Rot. Bonds5

About N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide

N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide (PubChem CID 63873091) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
PubChem CID63873091
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C11H25N3O2S/c1-5-6-7-13(4)17(15,16)14-8-10(2)12-11(3)9-14/h10-12H,5-9H2,1-4H3
InChIKeyBJDNLEZGUBZULV-UHFFFAOYSA-N
XLogP0.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclohexyl-N-methyl-1-piperazinesulfonamide
CID 16228164
N,N-diethylpiperazine-1-sulfonamide
CID 9167360
(Methylethyl)(piperazinylsulfonyl)amine
CID 28775599
N-(propan-2-yl)piperazine-1-sulfonamide hydrochloride
CID 75481567
(3R)-3-amino-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 119031274
2-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 119031489
2,5-Dimethylpiperazine sulphonamide
CID 69493011
Methylpiperazinesulfonamide
CID 76056968
1-[(2-Methylpiperidin-1-yl)sulfonyl]piperazine
CID 16228166
N,N-dipropylpiperazine-1-sulfonamide
CID 28775662
N-(piperidin-2-ylmethyl)sulfamide
CID 43810871
2-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 61825786

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide?
The IUPAC name of N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide (CID 63873091) is N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide.
What is the SMILES notation for N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide?
The canonical SMILES for N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide is CCCCN(C)S(=O)(=O)N1CC(C)NC(C)C1.
What is the InChIKey of N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide?
The InChIKey is BJDNLEZGUBZULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-5-6-7-13(4)17(15,16)14-8-10(2)12-11(3)9-14/h10-12H,5-9H2,1-4H3.
What are the key properties of N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide?
N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 63873091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).