4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine

C15H31N3O2S — CID 56757093

IUPAC4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine
SMILESCC/C=C(\C)CN1CCC(CNS(=O)(=O)N(C)CC)CC1
InChIInChI=1S/C15H31N3O2S/c1-5-7-14(3)13-18-10-8-15(9-11-18)12-16-21(19,20)17(4)6-2/h7,15-16H,5-6,8-13H2,1-4H3/b14-7+
InChIKeyBPMWHSMCHPRNAC-VGOFMYFVSA-N
MW317.50 g/mol
LogP1.84
Rot. Bonds8

About 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine

4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine (PubChem CID 56757093) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine.

Molecular Properties

Compound Name4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine
PubChem CID56757093
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine
SMILESCC/C=C(\C)CN1CCC(CNS(=O)(=O)N(C)CC)CC1
InChIInChI=1S/C15H31N3O2S/c1-5-7-14(3)13-18-10-8-15(9-11-18)12-16-21(19,20)17(4)6-2/h7,15-16H,5-6,8-13H2,1-4H3/b14-7+
InChIKeyBPMWHSMCHPRNAC-VGOFMYFVSA-N
XLogP1.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine
CID 114491031
N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 46673611
N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-3-yl}methyl)pyrrolidine-1-sulfonamide
CID 56739579
3-[(Diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine
CID 56759317
N,N-dimethyl-N'-(2-{1-[(2E)-2-methylbut-2-en-1-yl]piperidin-3-yl}ethyl)sulfamide
CID 56759585
4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
CID 60728428
N-ethyl-4-(methylaminomethyl)-N-(2-methylprop-2-enyl)piperidine-1-sulfonamide
CID 65775508
N-ethyl-N-(2-methylprop-2-enyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 65776110
N-ethyl-4-(ethylaminomethyl)-N-(2-methylprop-2-enyl)piperidine-1-sulfonamide
CID 65776908
4-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-1-sulfonamide
CID 65777881
4-[[[Ethyl(methyl)sulfamoyl]amino]methyl]-1-(2-methylpent-2-enyl)piperidine
CID 72072068
N-[[1-(2-methylpent-2-enyl)piperidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 72081865

Frequently Asked Questions

What is the IUPAC name of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine?
The IUPAC name of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine (CID 56757093) is 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine.
What is the SMILES notation for 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine?
The canonical SMILES for 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine is CC/C=C(\C)CN1CCC(CNS(=O)(=O)N(C)CC)CC1.
What is the InChIKey of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine?
The InChIKey is BPMWHSMCHPRNAC-VGOFMYFVSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-5-7-14(3)13-18-10-8-15(9-11-18)12-16-21(19,20)17(4)6-2/h7,15-16H,5-6,8-13H2,1-4H3/b14-7+.
What are the key properties of 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine?
4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine has a molecular weight of 317.50 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine is sourced from PubChem (CID 56757093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).