N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide

C14H27N5O2S — CID 90561400

IUPACN,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide
SMILESCC(C)c1nccn1CCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H27N5O2S/c1-13(2)14-15-5-6-18(14)10-7-17-8-11-19(12-9-17)22(20,21)16(3)4/h5-6,13H,7-12H2,1-4H3
InChIKeyILJNOZAYXNBNEQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP0.43
Rot. Bonds6

About N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide (PubChem CID 90561400) has the molecular formula C14H27N5O2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide
PubChem CID90561400
Molecular FormulaC14H27N5O2S
Molecular Weight329.47 g/mol
Exact Mass329.19
IUPAC NameN,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide
SMILESCC(C)c1nccn1CCN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H27N5O2S/c1-13(2)14-15-5-6-18(14)10-7-17-8-11-19(12-9-17)22(20,21)16(3)4/h5-6,13H,7-12H2,1-4H3
InChIKeyILJNOZAYXNBNEQ-UHFFFAOYSA-N
XLogP0.43
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 90561908
1-(4-tert-butylphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561436
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561393
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 90561440
N,N-dimethyl-4-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzenesulfonamide
CID 90561115
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561408
1-(3-chloro-2-methylphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561427
1-(3-chloro-4-fluorophenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561422
1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561429
2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 90561293
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561341

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide (CID 90561400) is N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide is CC(C)c1nccn1CCN1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide?
The InChIKey is ILJNOZAYXNBNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2S/c1-13(2)14-15-5-6-18(14)10-7-17-8-11-19(12-9-17)22(20,21)16(3)4/h5-6,13H,7-12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide has a molecular weight of 329.47 g/mol, XLogP of 0.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 90561400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).