4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine

C16H24N4O2S2 — CID 129001116

IUPAC4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1c1ncc[nH]1
InChIInChI=1S/C16H24N4O2S2/c1-16(2,3)13-5-6-14(23-13)24(21,22)20-10-9-19(4)12(11-20)15-17-7-8-18-15/h5-8,12H,9-11H2,1-4H3,(H,17,18)
InChIKeyDDOQQABOYVEDQS-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.45
Rot. Bonds3

About 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine

4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine (PubChem CID 129001116) has the molecular formula C16H24N4O2S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
PubChem CID129001116
Molecular FormulaC16H24N4O2S2
Molecular Weight368.53 g/mol
Exact Mass368.13
IUPAC Name4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1c1ncc[nH]1
InChIInChI=1S/C16H24N4O2S2/c1-16(2,3)13-5-6-14(23-13)24(21,22)20-10-9-19(4)12(11-20)15-17-7-8-18-15/h5-8,12H,9-11H2,1-4H3,(H,17,18)
InChIKeyDDOQQABOYVEDQS-UHFFFAOYSA-N
XLogP2.45
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 75425732
N~4~-({1-[2-(2-thienyl)ethyl]-4-piperidyl}methyl)-1H-imidazole-4-sulfonamide
CID 20938165
(1R)-N-[(1-ethylsulfonylazetidin-3-yl)methyl]-1-(1H-imidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 99843220
5-tert-butyl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-sulfonamide
CID 132374455
1-((5-ethylthiophen-2-yl)sulfonyl)-4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidine
CID 71781121
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 58808569
1-[4-(benzenesulfonyl)-4-methylpentyl]-3-(1H-imidazol-2-yl)piperidine
CID 69663848
N-tert-butyl-5-butyl-3-[4-(1H-imidazol-2-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 69838161
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide;dihydrochloride
CID 160537666
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide;methane
CID 161752390
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[1-(1H-imidazol-2-yl)piperidin-4-yl]-N-methylthiophene-2-sulfonamide
CID 11518922
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(1H-imidazol-2-ylmethyl)piperazine
CID 56786009

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The IUPAC name of 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine (CID 129001116) is 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine.
What is the SMILES notation for 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The canonical SMILES for 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1c1ncc[nH]1.
What is the InChIKey of 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The InChIKey is DDOQQABOYVEDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S2/c1-16(2,3)13-5-6-14(23-13)24(21,22)20-10-9-19(4)12(11-20)15-17-7-8-18-15/h5-8,12H,9-11H2,1-4H3,(H,17,18).
What are the key properties of 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine has a molecular weight of 368.53 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine is sourced from PubChem (CID 129001116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).