3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride

C10H24ClN3O2S — CID 57223070

IUPAC3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride
SMILESCN(C)S(=O)(=O)[NH+]1CCNC(C(C)(C)C)C1.[Cl-]
InChIInChI=1S/C10H23N3O2S.ClH/c1-10(2,3)9-8-13(7-6-11-9)16(14,15)12(4)5;/h9,11H,6-8H2,1-5H3;1H
InChIKeyWJIAOERYPLZEPM-UHFFFAOYSA-N
MW285.84 g/mol
LogP-4.30
Rot. Bonds2

About 3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride

3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride (PubChem CID 57223070) has the molecular formula C10H24ClN3O2S and a molecular weight of 285.84 g/mol. Its IUPAC name is 3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride.

Molecular Properties

Compound Name3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride
PubChem CID57223070
Molecular FormulaC10H24ClN3O2S
Molecular Weight285.84 g/mol
Exact Mass285.13
IUPAC Name3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride
SMILESCN(C)S(=O)(=O)[NH+]1CCNC(C(C)(C)C)C1.[Cl-]
InChIInChI=1S/C10H23N3O2S.ClH/c1-10(2,3)9-8-13(7-6-11-9)16(14,15)12(4)5;/h9,11H,6-8H2,1-5H3;1H
InChIKeyWJIAOERYPLZEPM-UHFFFAOYSA-N
XLogP-4.30
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 5-4.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride
CID 57276779
(2S)-1-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-3,3-dimethylbutan-2-amine
CID 58799931
(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine
CID 58821412
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylazetidine-1-sulfonamide
CID 58821413
(2S)-1-(dimethylsulfamoylamino)-3,3-dimethyl-2-(propan-2-ylamino)butane
CID 58821505
N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide
CID 58821531
(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821546
(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821561
(2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821568
N-[(2S)-2-amino-3,3-dimethylbutyl]piperidine-1-sulfonamide
CID 58821706
[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane
CID 58826078
(2S)-3,3-dimethyl-1-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-propan-2-ylbutan-2-amine
CID 59677634

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride?
The IUPAC name of 3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride (CID 57223070) is 3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride.
What is the SMILES notation for 3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride?
The canonical SMILES for 3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride is CN(C)S(=O)(=O)[NH+]1CCNC(C(C)(C)C)C1.[Cl-].
What is the InChIKey of 3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride?
The InChIKey is WJIAOERYPLZEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S.ClH/c1-10(2,3)9-8-13(7-6-11-9)16(14,15)12(4)5;/h9,11H,6-8H2,1-5H3;1H.
What are the key properties of 3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride?
3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride has a molecular weight of 285.84 g/mol, XLogP of -4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,N-dimethylpiperazin-1-ium-1-sulfonamide chloride is sourced from PubChem (CID 57223070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).