1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea

C16H27N4O3S+ — CID 9453496

IUPAC1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1
InChIInChI=1S/C16H26N4O3S/c1-4-17-16(21)18-13-5-7-15(8-6-13)24(22,23)20(3)14-9-11-19(2)12-10-14/h5-8,14H,4,9-12H2,1-3H3,(H2,17,18,21)/p+1
InChIKeyPAEIFAUSGUEPFA-UHFFFAOYSA-O
MW355.48 g/mol
LogP0.13
Rot. Bonds5

About 1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea

1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea (PubChem CID 9453496) has the molecular formula C16H27N4O3S+ and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea
PubChem CID9453496
Molecular FormulaC16H27N4O3S+
Molecular Weight355.48 g/mol
Exact Mass355.18
IUPAC Name1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1
InChIInChI=1S/C16H26N4O3S/c1-4-17-16(21)18-13-5-7-15(8-6-13)24(22,23)20(3)14-9-11-19(2)12-10-14/h5-8,14H,4,9-12H2,1-3H3,(H2,17,18,21)/p+1
InChIKeyPAEIFAUSGUEPFA-UHFFFAOYSA-O
XLogP0.13
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 122136241
N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
CID 8850603
N-[4-[methyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]propanamide
CID 49243207
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3,3,3-trifluoropropanamide
CID 71879297
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
1-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-ethylurea
CID 40952612
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 62151171
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
1-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 166207451
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 4777920
4-[8-(ethylcarbamoylamino)octylcarbamoylamino]benzenesulfonic acid
CID 163717383

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea (CID 9453496) is 1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea is CCNC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1.
What is the InChIKey of 1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea?
The InChIKey is PAEIFAUSGUEPFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H26N4O3S/c1-4-17-16(21)18-13-5-7-15(8-6-13)24(22,23)20(3)14-9-11-19(2)12-10-14/h5-8,14H,4,9-12H2,1-3H3,(H2,17,18,21)/p+1.
What are the key properties of 1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea?
1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea has a molecular weight of 355.48 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 9453496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).