N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide

C15H27N5O3S — CID 71806277

IUPACN-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide
SMILESCn1cnc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C15H27N5O3S/c1-15(2,3)18-14(21)20-7-5-12(6-8-20)9-17-24(22,23)13-10-19(4)11-16-13/h10-12,17H,5-9H2,1-4H3,(H,18,21)
InChIKeyXBOZDYACFYZMRN-UHFFFAOYSA-N
MW357.48 g/mol
LogP0.92
Rot. Bonds4

About N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide

N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide (PubChem CID 71806277) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide
PubChem CID71806277
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC NameN-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide
SMILESCn1cnc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C15H27N5O3S/c1-15(2,3)18-14(21)20-7-5-12(6-8-20)9-17-24(22,23)13-10-19(4)11-16-13/h10-12,17H,5-9H2,1-4H3,(H,18,21)
InChIKeyXBOZDYACFYZMRN-UHFFFAOYSA-N
XLogP0.92
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
CID 6621960
1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
CID 20856396
1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-4-methylpiperazine
CID 3241121
N-butyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238989
1-(1H-imidazol-4-ylsulfonyl)-4-[(4-methylpiperidin-1-yl)carbonyl]piperidine
CID 3241075
4-methyl-1'-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1,4'-bipiperidine
CID 118308389
N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53007816
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine dihydrochloride
CID 165943498
Tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 2810480
1-[[1-(1,2-Dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine
CID 50848046
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 71806315

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide (CID 71806277) is N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide is Cn1cnc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)c1.
What is the InChIKey of N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
The InChIKey is XBOZDYACFYZMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-15(2,3)18-14(21)20-7-5-12(6-8-20)9-17-24(22,23)13-10-19(4)11-16-13/h10-12,17H,5-9H2,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71806277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).