benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate

C15H21N5O4S — CID 155388566

IUPACbenzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate
SMILESCN(CCN(c1cnn(C)c1)S(N)(=O)=O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21N5O4S/c1-18(15(21)24-12-13-6-4-3-5-7-13)8-9-20(25(16,22)23)14-10-17-19(2)11-14/h3-7,10-11H,8-9,12H2,1-2H3,(H2,16,22,23)
InChIKeyGCRREKMNRFMXOU-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.70
Rot. Bonds7

About benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate

benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate (PubChem CID 155388566) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate
PubChem CID155388566
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Namebenzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate
SMILESCN(CCN(c1cnn(C)c1)S(N)(=O)=O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21N5O4S/c1-18(15(21)24-12-13-6-4-3-5-7-13)8-9-20(25(16,22)23)14-10-17-19(2)11-14/h3-7,10-11H,8-9,12H2,1-2H3,(H2,16,22,23)
InChIKeyGCRREKMNRFMXOU-UHFFFAOYSA-N
XLogP0.70
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 5-[(1-methylpyrazol-4-yl)-sulfamoylamino]pentanoate
CID 167555837
benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate
CID 155388439
benzyl N-(3-chlorosulfonylpropyl)-N-methylcarbamate
CID 84715697
benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
benzyl N-[2-[(3-chloro-2,2-dimethyl-3-oxopropanoyl)-methylamino]ethyl]-N-methylcarbamate
CID 59256379
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
2-[[methyl(phenylmethoxycarbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 165499329
benzyl N-methyl-N-(5-oxopentyl)carbamate
CID 86722745
trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol
CID 164959122
benzyl N-amino-N-(2-methylsulfonylethyl)carbamate
CID 10492407
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate (CID 155388566) is benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate is CN(CCN(c1cnn(C)c1)S(N)(=O)=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate?
The InChIKey is GCRREKMNRFMXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-18(15(21)24-12-13-6-4-3-5-7-13)8-9-20(25(16,22)23)14-10-17-19(2)11-14/h3-7,10-11H,8-9,12H2,1-2H3,(H2,16,22,23).
What are the key properties of benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate?
benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate has a molecular weight of 367.43 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate is sourced from PubChem (CID 155388566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).