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

C15H26N4O4S — CID 2810480

IUPACtert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate
SMILESCn1cnc(S(=O)(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C15H26N4O4S/c1-15(2,3)23-14(20)19-7-5-12(6-8-19)9-17-24(21,22)13-10-18(4)11-16-13/h10-12,17H,5-9H2,1-4H3
InChIKeyDNKDJABXODQRDR-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.35
Rot. Bonds4

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

tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate (PubChem CID 2810480) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate
PubChem CID2810480
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Nametert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate
SMILESCn1cnc(S(=O)(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C15H26N4O4S/c1-15(2,3)23-14(20)19-7-5-12(6-8-19)9-17-24(21,22)13-10-18(4)11-16-13/h10-12,17H,5-9H2,1-4H3
InChIKeyDNKDJABXODQRDR-UHFFFAOYSA-N
XLogP1.35
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53007816
tert-butyl 4-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1,4-diazepane-1-carboxylate
CID 2815743
N-(tert-butyl)-4-((1-methyl-1H-imidazole-4-sulfonamido)methyl)piperidine-1-carboxamide
CID 71806277
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 71806315
5-({1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201733
4-Fluoro-N-(2-methoxyethyl)-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carboxamide
CID 124079016
N-(Cyclopropylmethyl)-4-fluoro-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carboxamide
CID 132443275
1-(4-Methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20947102
1-(4-Methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20949491
N-tert-butyl-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949614
N-cyclohexyl-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-imidazol-1-yl}acetamide
CID 20949625
N-cyclopentyl-2-{4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-imidazol-1-yl}acetamide
CID 20949627

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate (CID 2810480) is tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate is Cn1cnc(S(=O)(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate?
The InChIKey is DNKDJABXODQRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-15(2,3)23-14(20)19-7-5-12(6-8-19)9-17-24(21,22)13-10-18(4)11-16-13/h10-12,17H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate has a molecular weight of 358.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 2810480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).