2-methyl-2-piperazin-1-ylpropane-1-sulfonamide

C8H19N3O2S — CID 57056991

IUPAC2-methyl-2-piperazin-1-ylpropane-1-sulfonamide
SMILESCC(C)(CS(N)(=O)=O)N1CCNCC1
InChIInChI=1S/C8H19N3O2S/c1-8(2,7-14(9,12)13)11-5-3-10-4-6-11/h10H,3-7H2,1-2H3,(H2,9,12,13)
InChIKeyWZCPYKAWWVIFDD-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.04
Rot. Bonds3

About 2-methyl-2-piperazin-1-ylpropane-1-sulfonamide

2-methyl-2-piperazin-1-ylpropane-1-sulfonamide (PubChem CID 57056991) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-ylpropane-1-sulfonamide
PubChem CID57056991
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name2-methyl-2-piperazin-1-ylpropane-1-sulfonamide
SMILESCC(C)(CS(N)(=O)=O)N1CCNCC1
InChIInChI=1S/C8H19N3O2S/c1-8(2,7-14(9,12)13)11-5-3-10-4-6-11/h10H,3-7H2,1-2H3,(H2,9,12,13)
InChIKeyWZCPYKAWWVIFDD-UHFFFAOYSA-N
XLogP-1.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Ethanesulfonyl)piperazine
CID 415294
1-(1-Propanesulfonyl)piperazine
CID 832241
1-Methanesulfonyl-3,3-dimethylpiperazine
CID 19815142
1-(Propane-2-sulfonyl)piperazine hydrochloride
CID 46743460
1-(Propane-1-sulfonyl)piperazine hydrochloride
CID 46743466
2-(Piperazin-1-yl)ethane-1-sulfonamide
CID 54595802
2-(4-Methylpiperazine-1-sulfonyl)ethan-1-amine
CID 22692376
N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide
CID 60703057
2-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 97570293
N,N-dimethyl-3-(3-methylpiperazin-1-yl)sulfonylpropane-1-sulfonamide
CID 121555234
1-(Isopropylsulfonyl)piperazine
CID 22562851
1-Tert-butyl-4-(2-fluoroethylsulfonyl)piperazine
CID 154593857

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-ylpropane-1-sulfonamide?
The IUPAC name of 2-methyl-2-piperazin-1-ylpropane-1-sulfonamide (CID 57056991) is 2-methyl-2-piperazin-1-ylpropane-1-sulfonamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-ylpropane-1-sulfonamide?
The canonical SMILES for 2-methyl-2-piperazin-1-ylpropane-1-sulfonamide is CC(C)(CS(N)(=O)=O)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-ylpropane-1-sulfonamide?
The InChIKey is WZCPYKAWWVIFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-8(2,7-14(9,12)13)11-5-3-10-4-6-11/h10H,3-7H2,1-2H3,(H2,9,12,13).
What are the key properties of 2-methyl-2-piperazin-1-ylpropane-1-sulfonamide?
2-methyl-2-piperazin-1-ylpropane-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-ylpropane-1-sulfonamide is sourced from PubChem (CID 57056991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).