formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide

C15H28N4O5S — CID 154909299

IUPACformic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide
SMILESCOC1CCN(S(=O)(=O)NC(c2nccn2C)C(C)C)CC1.O=CO
InChIInChI=1S/C14H26N4O3S.CH2O2/c1-11(2)13(14-15-7-10-17(14)3)16-22(19,20)18-8-5-12(21-4)6-9-18;2-1-3/h7,10-13,16H,5-6,8-9H2,1-4H3;1H,(H,2,3)
InChIKeyZEMGGWPREWTVIA-UHFFFAOYSA-N
MW376.48 g/mol
LogP0.76
Rot. Bonds6

About formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide

formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide (PubChem CID 154909299) has the molecular formula C15H28N4O5S and a molecular weight of 376.48 g/mol. Its IUPAC name is formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Nameformic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide
PubChem CID154909299
Molecular FormulaC15H28N4O5S
Molecular Weight376.48 g/mol
Exact Mass376.18
IUPAC Nameformic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide
SMILESCOC1CCN(S(=O)(=O)NC(c2nccn2C)C(C)C)CC1.O=CO
InChIInChI=1S/C14H26N4O3S.CH2O2/c1-11(2)13(14-15-7-10-17(14)3)16-22(19,20)18-8-5-12(21-4)6-9-18;2-1-3/h7,10-13,16H,5-6,8-9H2,1-4H3;1H,(H,2,3)
InChIKeyZEMGGWPREWTVIA-UHFFFAOYSA-N
XLogP0.76
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]morpholine-4-sulfonamide
CID 125445339
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436818
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436817
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4-methoxypiperidine-1-sulfonamide
CID 122562017
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
CID 166406040
4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide
CID 131912080
4-N,4-N-dimethyl-1-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]benzene-1,4-disulfonamide
CID 42962092
1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine
CID 56705944
(2S)-2-(4-fluorophenyl)-2-[(4-methoxypiperidin-1-yl)sulfonylamino]acetic acid
CID 167907126
3-hydroxy-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 125439120
3-hydroxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
CID 122560977
4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
CID 131905448

Frequently Asked Questions

What is the IUPAC name of formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide?
The IUPAC name of formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide (CID 154909299) is formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide?
The canonical SMILES for formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide is COC1CCN(S(=O)(=O)NC(c2nccn2C)C(C)C)CC1.O=CO.
What is the InChIKey of formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide?
The InChIKey is ZEMGGWPREWTVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3S.CH2O2/c1-11(2)13(14-15-7-10-17(14)3)16-22(19,20)18-8-5-12(21-4)6-9-18;2-1-3/h7,10-13,16H,5-6,8-9H2,1-4H3;1H,(H,2,3).
What are the key properties of formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide?
formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methoxy-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 154909299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).