N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C16H25IN4O2S — CID 120970696

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1CCN(S(=O)(=O)c2ccccc2)CC1.I
InChIInChI=1S/C16H24N4O2S.HI/c1-19-12-9-17-16(19)18-13-14-7-10-20(11-8-14)23(21,22)15-5-3-2-4-6-15;/h2-6,14H,7-13H2,1H3,(H,17,18);1H
InChIKeyDKYWBHRTWDSDJR-UHFFFAOYSA-N
MW464.37 g/mol
LogP1.60
Rot. Bonds4

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970696) has the molecular formula C16H25IN4O2S and a molecular weight of 464.37 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970696
Molecular FormulaC16H25IN4O2S
Molecular Weight464.37 g/mol
Exact Mass464.07
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1CCN(S(=O)(=O)c2ccccc2)CC1.I
InChIInChI=1S/C16H24N4O2S.HI/c1-19-12-9-17-16(19)18-13-14-7-10-20(11-8-14)23(21,22)15-5-3-2-4-6-15;/h2-6,14H,7-13H2,1H3,(H,17,18);1H
InChIKeyDKYWBHRTWDSDJR-UHFFFAOYSA-N
XLogP1.60
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970051
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
CID 110930259
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 2810735
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960616
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111636558
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine
CID 119123165
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111179640

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970696) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCC1CCN(S(=O)(=O)c2ccccc2)CC1.I.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is DKYWBHRTWDSDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S.HI/c1-19-12-9-17-16(19)18-13-14-7-10-20(11-8-14)23(21,22)15-5-3-2-4-6-15;/h2-6,14H,7-13H2,1H3,(H,17,18);1H.
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 464.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).