N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide

C15H26N4O3S — CID 20949614

IUPACN-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)NC(C)(C)C)cn2)CC1
InChIInChI=1S/C15H26N4O3S/c1-12-5-7-19(8-6-12)23(21,22)14-10-18(11-16-14)9-13(20)17-15(2,3)4/h10-12H,5-9H2,1-4H3,(H,17,20)
InChIKeyPKFPGPYHSCMUKF-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.22
Rot. Bonds4

About N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide

N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide (PubChem CID 20949614) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
PubChem CID20949614
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)NC(C)(C)C)cn2)CC1
InChIInChI=1S/C15H26N4O3S/c1-12-5-7-19(8-6-12)23(21,22)14-10-18(11-16-14)9-13(20)17-15(2,3)4/h10-12H,5-9H2,1-4H3,(H,17,20)
InChIKeyPKFPGPYHSCMUKF-UHFFFAOYSA-N
XLogP1.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide (CID 20949614) is N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide is CC1CCN(S(=O)(=O)c2cn(CC(=O)NC(C)(C)C)cn2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
The InChIKey is PKFPGPYHSCMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-12-5-7-19(8-6-12)23(21,22)14-10-18(11-16-14)9-13(20)17-15(2,3)4/h10-12H,5-9H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide?
N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide has a molecular weight of 342.47 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide is sourced from PubChem (CID 20949614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).