N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide

C14H31N3O2S — CID 18735776

IUPACN-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C14H31N3O2S/c1-6-8-16(9-7-14(2,3)4)20(18,19)17-12-10-15(5)11-13-17/h6-13H2,1-5H3
InChIKeyMPWSXCFFWPVKLI-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.63
Rot. Bonds6

About N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide

N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide (PubChem CID 18735776) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide
PubChem CID18735776
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C14H31N3O2S/c1-6-8-16(9-7-14(2,3)4)20(18,19)17-12-10-15(5)11-13-17/h6-13H2,1-5H3
InChIKeyMPWSXCFFWPVKLI-UHFFFAOYSA-N
XLogP1.63
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide (CID 18735776) is N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide is CCCN(CCC(C)(C)C)S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide?
The InChIKey is MPWSXCFFWPVKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-6-8-16(9-7-14(2,3)4)20(18,19)17-12-10-15(5)11-13-17/h6-13H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide?
N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-methyl-N-propylpiperazine-1-sulfonamide is sourced from PubChem (CID 18735776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).